The scikit-learn version is 0.20.3.
The BlackBoxAuditing version is 0.1.50.
The shap version is 0.28.5.
37 shared SMILES.nosalt between Human and Triangle sets included:
['NCCCN' 'CN(C)CCN(C)C' 'NCCNCCN' 'CCCCN(CCCC)CCCN' 'CC(N)CN' 'NCCCCN'
 'C[C@H]1CN[C@H](C)CN1' 'CNCCNC' 'CN1CCNCC1' 'NCCCNCCCN'
 'NCCCN1CCN(CCCN)CC1' 'CC1CNCCN1' 'NCC1CCCCN1' 'CNCCCN' 'CN(C)CCCN(C)C'
 'CN1CCCC1CCN' 'NCCNCCNCCN' 'c1cc(ccn1)-c1ccncc1' 'NCCCCCCN' 'CC(C)NCCCN'
 'CCCNCCN' 'NCCN' 'NCCNCCNCCNCCN' 'CCNCC' 'NCCN(CCN)CCN' 'CNCCCN(C)C'
 'CN(C)CC(C)(C)CN' 'NC1CCNC1' 'CNCCN' 'CC(CN)CCCN' 'CCCCN1CCNCC1'
 'CCN(CC)CCCC(C)N' 'CCNCCN(C)C' 'NCCCCCN' 'NC1CN2CCC1CC2' 'C1CNCCN1'
 'C1CN2CCN1CC2']
The test set only includes 11 SMILES.nosalt that are NOT listed above:
['C1CNCCNC1' 'CC(CCN(C)C)N(C)C' 'CN1CCN(C)CC1' 'CN(C)CCN' 'NCCN1CCCCC1'
 'CC(C)(CN)CN' 'Cc1ncc[nH]1' 'CN1CCN(N)CC1' 'CN(C)CCCCCCN(C)C'
 'N=C1NC(=N)c2ccccc12' 'Cc1cnccn1']
Loaded features:
['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_bpKa1', '_feat_bpKa2', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface', '_calc_pbKaUnderPhCount', '_out_Bool4Outcome']
Number of dropped NaN items from Human:0
Number of dropped NaN items from Triangle:0
Number of dropped NaN items from Test:0
--- Final sizes ---
Human:467
Triangle:370
Test:110
--- Feature selection ---

Evaluating features based on: ANOVA F-value (top 5)
Human data:

Feature, ANOVA F-value (top 5)
_raw_H3BO3/g,1.4945828435302726
_raw_VOSO4xH2O/g,7.182210334310913
_raw_Amine/g,0.06703267474605115
_raw_Amine_Mol,1.2688437531754722
_raw_VOSO4xH2O_Mol,7.182208966517258
_raw_H3BO3_Mol,1.4945830404597558
_rxn_H2O/g,3.679335929295401
_rxn_pH,5.999558865600749
_rxn_Oven Temperature/C,nan
_rxn_Aging Time/hrs,0.15329034466515934
_rxn_Vessel Size/mL,nan
_feat_Mass,5.1132237361716495
_feat_Mass_Nosalt,5.8853205573393295
_feat_AtomCount_C,3.2529001040286207
_feat_AtomCount_N,9.452697528228452
_feat_AvgPol,5.8799413189433025
_feat_MolPol,5.417972498280114
_feat_Refractivity,4.426279792001881
_feat_bpKa1,15.10156937572096
_feat_bpKa2,15.703247274141168
_feat_AliphaticRingCount,0.2547028871648351
_feat_AromaticRingCount,0.5256081721486995
_feat_Aliphatic AtomCount,6.600552984746526
_feat_AromaticAtomCount,0.5256081721486994
_feat_BondCount,5.433780615524683
_feat_CarboaliphaticRingCount,nan
_feat_CarboaromaticRingCount,nan
_feat_CarboRingCount,nan
_feat_ChainAtomCount,2.4048386851950094
_feat_ChiralCenterCount,10.932004816023083
_feat_RingAtomCount,0.003318871884654325
_feat_SmallestRingSize,6.093080729698129e-05
_feat_LargestRingSize,6.093080729698129e-05
_feat_fsp3,0.5256081721584323
_feat_HeteroaliphaticRingCount,0.2547028871648351
_feat_HeteroaromaticRing Count,0.5256081721486995
_feat_RotatableBondCount,16.369732061982837
_feat_BalabanIndex,0.6571655608328391
_feat_CyclomaticNumber,0.12647447738234363
_feat_HyperWienerIndex,8.739793450057316
_feat_WienerIndex,8.10415943536281
_feat_WienerPolarity,4.0759557566003926
_feat_MinimalProjectionArea,0.7346592562434452
_feat_MaximalProjectionArea,5.993713204088059
_feat_MinimalProjectionRadius,1.8119718249121939
_feat_MaximalProjectionRadius,10.794934646673873
_feat_LengthPerpendicularToTheMinArea,11.990887340431202
_feat_LengthPerpendicularToTheMaxArea,0.09896380898630903
_feat_VanderWaalsVolume,4.842547604952484
_feat_VanderWaalsSurfaceArea,3.0686271881562086
_feat_ASA,1.6167551620722889
_feat_ASA+,8.312533563950076
_feat_ASA-,5.466267864334149
_feat_ASA_H,0.7117142584310601
_feat_ASA_P,12.438794875542333
_feat_PolarSurfaceArea,11.937957082217617
_feat_acceptorcount,9.452697528228452
_feat_Accsitecount,9.452697528228452
_feat_donorcount,10.739756541727274
_feat_donsitecount,11.822594308342238
_feat_sol,4.124551190460333
_feat_fr_NH2,8.58000351550973
_feat_fr_NH1,0.0009320629293911824
_feat_fr_NH0,3.5335693323029123
_feat_fr_quatN,nan
_feat_fr_ArN,nan
_feat_fr_Ar_NH,nan
fr_Imine,nan
fr_amidine,nan
_feat_fr_dihydropyridine,nan
_feat_fr_guanido,nan
_feat_fr_piperdine,0.4087888701704771
_feat_fr_piperzine,0.020349729510854838
_feat_fr_pyridine,0.5256081721486995
_calc_Amine_H3BO3_MolRatio,0.9034344671578114
_calc_VOSO4xH2O_H3BO3_MolRatio,1.8252309693805249
_calc_VOSO4xH2O_H3BO3_MassRatio,1.825230977028499
_calc_AmineConc,0.03763542983129969
_calc_avgNitrogenVDWVol,0.17348079678927322
_calc_avgNitrogenVDWSurface,0.0012785519179345345
_calc_CarbonNitrogenRatio,0.40640214382789513
_calc_avgNitrogenWaterAssessSurface,0.3963307806178346
_calc_pbKaUnderPhCount,0.26247216874978563
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface', '_calc_pbKaUnderPhCount']

Triangle data:

Feature, ANOVA F-value (top 5)
_raw_H3BO3/g,9.587888498842737
_raw_VOSO4xH2O/g,0.8230433366382506
_raw_Amine/g,0.1848180530112203
_raw_Amine_Mol,0.2393792479174598
_raw_VOSO4xH2O_Mol,0.8230343501274313
_raw_H3BO3_Mol,9.587887460987059
_rxn_H2O/g,0.3018476686459737
_rxn_pH,34.23468086318359
_rxn_Oven Temperature/C,nan
_rxn_Aging Time/hrs,nan
_rxn_Vessel Size/mL,nan
_feat_Mass,0.00106015135079081
_feat_Mass_Nosalt,0.1640341124647825
_feat_AtomCount_C,1.769632370403163
_feat_AtomCount_N,1.1232517778199262
_feat_AvgPol,0.08304747112366731
_feat_MolPol,0.07419856431251029
_feat_Refractivity,0.1168236945588205
_feat_bpKa1,42.30183001505305
_feat_bpKa2,18.5735264940889
_feat_AliphaticRingCount,5.982836264283685
_feat_AromaticRingCount,13.82269681125267
_feat_Aliphatic AtomCount,4.061868211972758
_feat_AromaticAtomCount,13.82269681125267
_feat_BondCount,0.26391008223106066
_feat_CarboaliphaticRingCount,nan
_feat_CarboaromaticRingCount,nan
_feat_CarboRingCount,nan
_feat_ChainAtomCount,12.77930346409719
_feat_ChiralCenterCount,0.03317906442251995
_feat_RingAtomCount,20.15962809584533
_feat_SmallestRingSize,14.436986137794857
_feat_LargestRingSize,14.436986137794857
_feat_fsp3,13.822696811252603
_feat_HeteroaliphaticRingCount,5.982836264283685
_feat_HeteroaromaticRing Count,13.82269681125267
_feat_RotatableBondCount,8.45006976116236
_feat_BalabanIndex,7.273152653820905
_feat_CyclomaticNumber,17.427662329666024
_feat_HyperWienerIndex,0.17750772251823485
_feat_WienerIndex,3.246266473886736e-05
_feat_WienerPolarity,2.070819890858954
_feat_MinimalProjectionArea,3.3070752547922506
_feat_MaximalProjectionArea,0.26147694457908494
_feat_MinimalProjectionRadius,3.663033694469603
_feat_MaximalProjectionRadius,8.146020857773031
_feat_LengthPerpendicularToTheMinArea,8.873265862728394
_feat_LengthPerpendicularToTheMaxArea,0.012027234685502333
_feat_VanderWaalsVolume,0.11925044138343559
_feat_VanderWaalsSurfaceArea,0.18175006778079855
_feat_ASA,0.18288704536253553
_feat_ASA+,0.17954044829810456
_feat_ASA-,0.042552360544287966
_feat_ASA_H,0.34599328989267164
_feat_ASA_P,0.8148178287957182
_feat_PolarSurfaceArea,21.22905510733567
_feat_acceptorcount,1.1232517778199262
_feat_Accsitecount,1.1232517778199262
_feat_donorcount,13.738925971005242
_feat_donsitecount,26.54117121079619
_feat_sol,6.482710041542446
_feat_fr_NH2,34.007096010831674
_feat_fr_NH1,2.2089876710124376
_feat_fr_NH0,17.55304869777823
_feat_fr_quatN,nan
_feat_fr_ArN,nan
_feat_fr_Ar_NH,nan
fr_Imine,nan
fr_amidine,nan
_feat_fr_dihydropyridine,nan
_feat_fr_guanido,nan
_feat_fr_piperdine,4.452471716910681
_feat_fr_piperzine,1.7364110334126153
_feat_fr_pyridine,13.82269681125267
_calc_Amine_H3BO3_MolRatio,0.8492949112647792
_calc_VOSO4xH2O_H3BO3_MolRatio,0.9321304598672417
_calc_VOSO4xH2O_H3BO3_MassRatio,0.9321216404852087
_calc_AmineConc,0.27397823177292885
_calc_avgNitrogenVDWVol,0.07785344898585193
_calc_avgNitrogenVDWSurface,0.006565611646408321
_calc_CarbonNitrogenRatio,3.0209803251468146
_calc_avgNitrogenWaterAssessSurface,0.08861385381236474
_calc_pbKaUnderPhCount,22.147457855444415
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_bpKa2', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_sol', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface']

Keeping from human: ['_feat_bpKa1', '_feat_bpKa2', '_feat_RotatableBondCount', '_feat_LengthPerpendicularToTheMinArea', '_feat_ASA_P']

Keeping from triangle: ['_rxn_pH', '_feat_bpKa1', '_feat_donsitecount', '_feat_fr_NH2', '_calc_pbKaUnderPhCount']
Number of features in filtered human set:5
Number of features in filtered triangle set:5

Evaluating features based on: ANOVA F-value (top 10)
Human data:

Feature, ANOVA F-value (top 10)
_raw_H3BO3/g,1.4945828435302726
_raw_VOSO4xH2O/g,7.182210334310913
_raw_Amine/g,0.06703267474605115
_raw_Amine_Mol,1.2688437531754722
_raw_VOSO4xH2O_Mol,7.182208966517258
_raw_H3BO3_Mol,1.4945830404597558
_rxn_H2O/g,3.679335929295401
_rxn_pH,5.999558865600749
_rxn_Oven Temperature/C,nan
_rxn_Aging Time/hrs,0.15329034466515934
_rxn_Vessel Size/mL,nan
_feat_Mass,5.1132237361716495
_feat_Mass_Nosalt,5.8853205573393295
_feat_AtomCount_C,3.2529001040286207
_feat_AtomCount_N,9.452697528228452
_feat_AvgPol,5.8799413189433025
_feat_MolPol,5.417972498280114
_feat_Refractivity,4.426279792001881
_feat_bpKa1,15.10156937572096
_feat_bpKa2,15.703247274141168
_feat_AliphaticRingCount,0.2547028871648351
_feat_AromaticRingCount,0.5256081721486995
_feat_Aliphatic AtomCount,6.600552984746526
_feat_AromaticAtomCount,0.5256081721486994
_feat_BondCount,5.433780615524683
_feat_CarboaliphaticRingCount,nan
_feat_CarboaromaticRingCount,nan
_feat_CarboRingCount,nan
_feat_ChainAtomCount,2.4048386851950094
_feat_ChiralCenterCount,10.932004816023083
_feat_RingAtomCount,0.003318871884654325
_feat_SmallestRingSize,6.093080729698129e-05
_feat_LargestRingSize,6.093080729698129e-05
_feat_fsp3,0.5256081721584323
_feat_HeteroaliphaticRingCount,0.2547028871648351
_feat_HeteroaromaticRing Count,0.5256081721486995
_feat_RotatableBondCount,16.369732061982837
_feat_BalabanIndex,0.6571655608328391
_feat_CyclomaticNumber,0.12647447738234363
_feat_HyperWienerIndex,8.739793450057316
_feat_WienerIndex,8.10415943536281
_feat_WienerPolarity,4.0759557566003926
_feat_MinimalProjectionArea,0.7346592562434452
_feat_MaximalProjectionArea,5.993713204088059
_feat_MinimalProjectionRadius,1.8119718249121939
_feat_MaximalProjectionRadius,10.794934646673873
_feat_LengthPerpendicularToTheMinArea,11.990887340431202
_feat_LengthPerpendicularToTheMaxArea,0.09896380898630903
_feat_VanderWaalsVolume,4.842547604952484
_feat_VanderWaalsSurfaceArea,3.0686271881562086
_feat_ASA,1.6167551620722889
_feat_ASA+,8.312533563950076
_feat_ASA-,5.466267864334149
_feat_ASA_H,0.7117142584310601
_feat_ASA_P,12.438794875542333
_feat_PolarSurfaceArea,11.937957082217617
_feat_acceptorcount,9.452697528228452
_feat_Accsitecount,9.452697528228452
_feat_donorcount,10.739756541727274
_feat_donsitecount,11.822594308342238
_feat_sol,4.124551190460333
_feat_fr_NH2,8.58000351550973
_feat_fr_NH1,0.0009320629293911824
_feat_fr_NH0,3.5335693323029123
_feat_fr_quatN,nan
_feat_fr_ArN,nan
_feat_fr_Ar_NH,nan
fr_Imine,nan
fr_amidine,nan
_feat_fr_dihydropyridine,nan
_feat_fr_guanido,nan
_feat_fr_piperdine,0.4087888701704771
_feat_fr_piperzine,0.020349729510854838
_feat_fr_pyridine,0.5256081721486995
_calc_Amine_H3BO3_MolRatio,0.9034344671578114
_calc_VOSO4xH2O_H3BO3_MolRatio,1.8252309693805249
_calc_VOSO4xH2O_H3BO3_MassRatio,1.825230977028499
_calc_AmineConc,0.03763542983129969
_calc_avgNitrogenVDWVol,0.17348079678927322
_calc_avgNitrogenVDWSurface,0.0012785519179345345
_calc_CarbonNitrogenRatio,0.40640214382789513
_calc_avgNitrogenWaterAssessSurface,0.3963307806178346
_calc_pbKaUnderPhCount,0.26247216874978563
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface', '_calc_pbKaUnderPhCount']

Triangle data:

Feature, ANOVA F-value (top 10)
_raw_H3BO3/g,9.587888498842737
_raw_VOSO4xH2O/g,0.8230433366382506
_raw_Amine/g,0.1848180530112203
_raw_Amine_Mol,0.2393792479174598
_raw_VOSO4xH2O_Mol,0.8230343501274313
_raw_H3BO3_Mol,9.587887460987059
_rxn_H2O/g,0.3018476686459737
_rxn_pH,34.23468086318359
_rxn_Oven Temperature/C,nan
_rxn_Aging Time/hrs,nan
_rxn_Vessel Size/mL,nan
_feat_Mass,0.00106015135079081
_feat_Mass_Nosalt,0.1640341124647825
_feat_AtomCount_C,1.769632370403163
_feat_AtomCount_N,1.1232517778199262
_feat_AvgPol,0.08304747112366731
_feat_MolPol,0.07419856431251029
_feat_Refractivity,0.1168236945588205
_feat_bpKa1,42.30183001505305
_feat_bpKa2,18.5735264940889
_feat_AliphaticRingCount,5.982836264283685
_feat_AromaticRingCount,13.82269681125267
_feat_Aliphatic AtomCount,4.061868211972758
_feat_AromaticAtomCount,13.82269681125267
_feat_BondCount,0.26391008223106066
_feat_CarboaliphaticRingCount,nan
_feat_CarboaromaticRingCount,nan
_feat_CarboRingCount,nan
_feat_ChainAtomCount,12.77930346409719
_feat_ChiralCenterCount,0.03317906442251995
_feat_RingAtomCount,20.15962809584533
_feat_SmallestRingSize,14.436986137794857
_feat_LargestRingSize,14.436986137794857
_feat_fsp3,13.822696811252603
_feat_HeteroaliphaticRingCount,5.982836264283685
_feat_HeteroaromaticRing Count,13.82269681125267
_feat_RotatableBondCount,8.45006976116236
_feat_BalabanIndex,7.273152653820905
_feat_CyclomaticNumber,17.427662329666024
_feat_HyperWienerIndex,0.17750772251823485
_feat_WienerIndex,3.246266473886736e-05
_feat_WienerPolarity,2.070819890858954
_feat_MinimalProjectionArea,3.3070752547922506
_feat_MaximalProjectionArea,0.26147694457908494
_feat_MinimalProjectionRadius,3.663033694469603
_feat_MaximalProjectionRadius,8.146020857773031
_feat_LengthPerpendicularToTheMinArea,8.873265862728394
_feat_LengthPerpendicularToTheMaxArea,0.012027234685502333
_feat_VanderWaalsVolume,0.11925044138343559
_feat_VanderWaalsSurfaceArea,0.18175006778079855
_feat_ASA,0.18288704536253553
_feat_ASA+,0.17954044829810456
_feat_ASA-,0.042552360544287966
_feat_ASA_H,0.34599328989267164
_feat_ASA_P,0.8148178287957182
_feat_PolarSurfaceArea,21.22905510733567
_feat_acceptorcount,1.1232517778199262
_feat_Accsitecount,1.1232517778199262
_feat_donorcount,13.738925971005242
_feat_donsitecount,26.54117121079619
_feat_sol,6.482710041542446
_feat_fr_NH2,34.007096010831674
_feat_fr_NH1,2.2089876710124376
_feat_fr_NH0,17.55304869777823
_feat_fr_quatN,nan
_feat_fr_ArN,nan
_feat_fr_Ar_NH,nan
fr_Imine,nan
fr_amidine,nan
_feat_fr_dihydropyridine,nan
_feat_fr_guanido,nan
_feat_fr_piperdine,4.452471716910681
_feat_fr_piperzine,1.7364110334126153
_feat_fr_pyridine,13.82269681125267
_calc_Amine_H3BO3_MolRatio,0.8492949112647792
_calc_VOSO4xH2O_H3BO3_MolRatio,0.9321304598672417
_calc_VOSO4xH2O_H3BO3_MassRatio,0.9321216404852087
_calc_AmineConc,0.27397823177292885
_calc_avgNitrogenVDWVol,0.07785344898585193
_calc_avgNitrogenVDWSurface,0.006565611646408321
_calc_CarbonNitrogenRatio,3.0209803251468146
_calc_avgNitrogenWaterAssessSurface,0.08861385381236474
_calc_pbKaUnderPhCount,22.147457855444415
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_sol', '_feat_fr_NH1', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface']

Keeping from human: ['_feat_bpKa1', '_feat_bpKa2', '_feat_ChiralCenterCount', '_feat_RotatableBondCount', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_donorcount', '_feat_donsitecount']

Keeping from triangle: ['_rxn_pH', '_feat_bpKa1', '_feat_bpKa2', '_feat_RingAtomCount', '_feat_CyclomaticNumber', '_feat_PolarSurfaceArea', '_feat_donsitecount', '_feat_fr_NH2', '_feat_fr_NH0', '_calc_pbKaUnderPhCount']
Number of features in filtered human set:10
Number of features in filtered triangle set:10

Evaluating features based on: ANOVA F-value (top 20)
Human data:

Feature, ANOVA F-value (top 20)
_raw_H3BO3/g,1.4945828435302726
_raw_VOSO4xH2O/g,7.182210334310913
_raw_Amine/g,0.06703267474605115
_raw_Amine_Mol,1.2688437531754722
_raw_VOSO4xH2O_Mol,7.182208966517258
_raw_H3BO3_Mol,1.4945830404597558
_rxn_H2O/g,3.679335929295401
_rxn_pH,5.999558865600749
_rxn_Oven Temperature/C,nan
_rxn_Aging Time/hrs,0.15329034466515934
_rxn_Vessel Size/mL,nan
_feat_Mass,5.1132237361716495
_feat_Mass_Nosalt,5.8853205573393295
_feat_AtomCount_C,3.2529001040286207
_feat_AtomCount_N,9.452697528228452
_feat_AvgPol,5.8799413189433025
_feat_MolPol,5.417972498280114
_feat_Refractivity,4.426279792001881
_feat_bpKa1,15.10156937572096
_feat_bpKa2,15.703247274141168
_feat_AliphaticRingCount,0.2547028871648351
_feat_AromaticRingCount,0.5256081721486995
_feat_Aliphatic AtomCount,6.600552984746526
_feat_AromaticAtomCount,0.5256081721486994
_feat_BondCount,5.433780615524683
_feat_CarboaliphaticRingCount,nan
_feat_CarboaromaticRingCount,nan
_feat_CarboRingCount,nan
_feat_ChainAtomCount,2.4048386851950094
_feat_ChiralCenterCount,10.932004816023083
_feat_RingAtomCount,0.003318871884654325
_feat_SmallestRingSize,6.093080729698129e-05
_feat_LargestRingSize,6.093080729698129e-05
_feat_fsp3,0.5256081721584323
_feat_HeteroaliphaticRingCount,0.2547028871648351
_feat_HeteroaromaticRing Count,0.5256081721486995
_feat_RotatableBondCount,16.369732061982837
_feat_BalabanIndex,0.6571655608328391
_feat_CyclomaticNumber,0.12647447738234363
_feat_HyperWienerIndex,8.739793450057316
_feat_WienerIndex,8.10415943536281
_feat_WienerPolarity,4.0759557566003926
_feat_MinimalProjectionArea,0.7346592562434452
_feat_MaximalProjectionArea,5.993713204088059
_feat_MinimalProjectionRadius,1.8119718249121939
_feat_MaximalProjectionRadius,10.794934646673873
_feat_LengthPerpendicularToTheMinArea,11.990887340431202
_feat_LengthPerpendicularToTheMaxArea,0.09896380898630903
_feat_VanderWaalsVolume,4.842547604952484
_feat_VanderWaalsSurfaceArea,3.0686271881562086
_feat_ASA,1.6167551620722889
_feat_ASA+,8.312533563950076
_feat_ASA-,5.466267864334149
_feat_ASA_H,0.7117142584310601
_feat_ASA_P,12.438794875542333
_feat_PolarSurfaceArea,11.937957082217617
_feat_acceptorcount,9.452697528228452
_feat_Accsitecount,9.452697528228452
_feat_donorcount,10.739756541727274
_feat_donsitecount,11.822594308342238
_feat_sol,4.124551190460333
_feat_fr_NH2,8.58000351550973
_feat_fr_NH1,0.0009320629293911824
_feat_fr_NH0,3.5335693323029123
_feat_fr_quatN,nan
_feat_fr_ArN,nan
_feat_fr_Ar_NH,nan
fr_Imine,nan
fr_amidine,nan
_feat_fr_dihydropyridine,nan
_feat_fr_guanido,nan
_feat_fr_piperdine,0.4087888701704771
_feat_fr_piperzine,0.020349729510854838
_feat_fr_pyridine,0.5256081721486995
_calc_Amine_H3BO3_MolRatio,0.9034344671578114
_calc_VOSO4xH2O_H3BO3_MolRatio,1.8252309693805249
_calc_VOSO4xH2O_H3BO3_MassRatio,1.825230977028499
_calc_AmineConc,0.03763542983129969
_calc_avgNitrogenVDWVol,0.17348079678927322
_calc_avgNitrogenVDWSurface,0.0012785519179345345
_calc_CarbonNitrogenRatio,0.40640214382789513
_calc_avgNitrogenWaterAssessSurface,0.3963307806178346
_calc_pbKaUnderPhCount,0.26247216874978563
Features to be removed:['_raw_H3BO3/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA-', '_feat_ASA_H', '_feat_sol', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface', '_calc_pbKaUnderPhCount']

Triangle data:

Feature, ANOVA F-value (top 20)
_raw_H3BO3/g,9.587888498842737
_raw_VOSO4xH2O/g,0.8230433366382506
_raw_Amine/g,0.1848180530112203
_raw_Amine_Mol,0.2393792479174598
_raw_VOSO4xH2O_Mol,0.8230343501274313
_raw_H3BO3_Mol,9.587887460987059
_rxn_H2O/g,0.3018476686459737
_rxn_pH,34.23468086318359
_rxn_Oven Temperature/C,nan
_rxn_Aging Time/hrs,nan
_rxn_Vessel Size/mL,nan
_feat_Mass,0.00106015135079081
_feat_Mass_Nosalt,0.1640341124647825
_feat_AtomCount_C,1.769632370403163
_feat_AtomCount_N,1.1232517778199262
_feat_AvgPol,0.08304747112366731
_feat_MolPol,0.07419856431251029
_feat_Refractivity,0.1168236945588205
_feat_bpKa1,42.30183001505305
_feat_bpKa2,18.5735264940889
_feat_AliphaticRingCount,5.982836264283685
_feat_AromaticRingCount,13.82269681125267
_feat_Aliphatic AtomCount,4.061868211972758
_feat_AromaticAtomCount,13.82269681125267
_feat_BondCount,0.26391008223106066
_feat_CarboaliphaticRingCount,nan
_feat_CarboaromaticRingCount,nan
_feat_CarboRingCount,nan
_feat_ChainAtomCount,12.77930346409719
_feat_ChiralCenterCount,0.03317906442251995
_feat_RingAtomCount,20.15962809584533
_feat_SmallestRingSize,14.436986137794857
_feat_LargestRingSize,14.436986137794857
_feat_fsp3,13.822696811252603
_feat_HeteroaliphaticRingCount,5.982836264283685
_feat_HeteroaromaticRing Count,13.82269681125267
_feat_RotatableBondCount,8.45006976116236
_feat_BalabanIndex,7.273152653820905
_feat_CyclomaticNumber,17.427662329666024
_feat_HyperWienerIndex,0.17750772251823485
_feat_WienerIndex,3.246266473886736e-05
_feat_WienerPolarity,2.070819890858954
_feat_MinimalProjectionArea,3.3070752547922506
_feat_MaximalProjectionArea,0.26147694457908494
_feat_MinimalProjectionRadius,3.663033694469603
_feat_MaximalProjectionRadius,8.146020857773031
_feat_LengthPerpendicularToTheMinArea,8.873265862728394
_feat_LengthPerpendicularToTheMaxArea,0.012027234685502333
_feat_VanderWaalsVolume,0.11925044138343559
_feat_VanderWaalsSurfaceArea,0.18175006778079855
_feat_ASA,0.18288704536253553
_feat_ASA+,0.17954044829810456
_feat_ASA-,0.042552360544287966
_feat_ASA_H,0.34599328989267164
_feat_ASA_P,0.8148178287957182
_feat_PolarSurfaceArea,21.22905510733567
_feat_acceptorcount,1.1232517778199262
_feat_Accsitecount,1.1232517778199262
_feat_donorcount,13.738925971005242
_feat_donsitecount,26.54117121079619
_feat_sol,6.482710041542446
_feat_fr_NH2,34.007096010831674
_feat_fr_NH1,2.2089876710124376
_feat_fr_NH0,17.55304869777823
_feat_fr_quatN,nan
_feat_fr_ArN,nan
_feat_fr_Ar_NH,nan
fr_Imine,nan
fr_amidine,nan
_feat_fr_dihydropyridine,nan
_feat_fr_guanido,nan
_feat_fr_piperdine,4.452471716910681
_feat_fr_piperzine,1.7364110334126153
_feat_fr_pyridine,13.82269681125267
_calc_Amine_H3BO3_MolRatio,0.8492949112647792
_calc_VOSO4xH2O_H3BO3_MolRatio,0.9321304598672417
_calc_VOSO4xH2O_H3BO3_MassRatio,0.9321216404852087
_calc_AmineConc,0.27397823177292885
_calc_avgNitrogenVDWVol,0.07785344898585193
_calc_avgNitrogenVDWSurface,0.006565611646408321
_calc_CarbonNitrogenRatio,3.0209803251468146
_calc_avgNitrogenWaterAssessSurface,0.08861385381236474
_calc_pbKaUnderPhCount,22.147457855444415
Features to be removed:['_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_AliphaticRingCount', '_feat_Aliphatic AtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChiralCenterCount', '_feat_HeteroaliphaticRingCount', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_sol', '_feat_fr_NH1', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface']

Keeping from human: ['_raw_VOSO4xH2O/g', '_raw_VOSO4xH2O_Mol', '_feat_AtomCount_N', '_feat_bpKa1', '_feat_bpKa2', '_feat_Aliphatic AtomCount', '_feat_ChiralCenterCount', '_feat_RotatableBondCount', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_ASA+', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_fr_NH2']

Keeping from triangle: ['_raw_H3BO3/g', '_rxn_pH', '_feat_bpKa1', '_feat_bpKa2', '_feat_AromaticRingCount', '_feat_AromaticAtomCount', '_feat_ChainAtomCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaromaticRing Count', '_feat_CyclomaticNumber', '_feat_PolarSurfaceArea', '_feat_donorcount', '_feat_donsitecount', '_feat_fr_NH2', '_feat_fr_NH0', '_feat_fr_pyridine', '_calc_pbKaUnderPhCount']
Number of features in filtered human set:20
Number of features in filtered triangle set:20

Evaluating features based on: Mutual Info Score (top 5)
Human data:

Feature, Mutual Info Score (top 5)
_raw_H3BO3/g,0.008458244211010824
_raw_VOSO4xH2O/g,0.0
_raw_Amine/g,0.04156973160873534
_raw_Amine_Mol,0.006117633975617487
_raw_VOSO4xH2O_Mol,0.0
_raw_H3BO3_Mol,0.0
_rxn_H2O/g,0.022889423243308782
_rxn_pH,0.022296178286313806
_rxn_Oven Temperature/C,0.0
_rxn_Aging Time/hrs,0.0
_rxn_Vessel Size/mL,0.0
_feat_Mass,0.09828755300856162
_feat_Mass_Nosalt,0.06960662656745553
_feat_AtomCount_C,0.05856293910942734
_feat_AtomCount_N,0.009188297194826944
_feat_AvgPol,0.17226507042612238
_feat_MolPol,0.08205193110984976
_feat_Refractivity,0.14695746744545168
_feat_bpKa1,0.11999612288952544
_feat_bpKa2,0.12848839086874775
_feat_AliphaticRingCount,0.005395375152473125
_feat_AromaticRingCount,0.0
_feat_Aliphatic AtomCount,0.04926355909958624
_feat_AromaticAtomCount,0.00903296559537492
_feat_BondCount,0.09559166589749335
_feat_CarboaliphaticRingCount,0.004335544606544728
_feat_CarboaromaticRingCount,0.02782083036230376
_feat_CarboRingCount,0.030812914895196553
_feat_ChainAtomCount,0.0843159086423575
_feat_ChiralCenterCount,0.0
_feat_RingAtomCount,0.0
_feat_SmallestRingSize,0.0
_feat_LargestRingSize,0.0
_feat_fsp3,0.0
_feat_HeteroaliphaticRingCount,0.0026456112426238576
_feat_HeteroaromaticRing Count,0.0
_feat_RotatableBondCount,0.08905817056945597
_feat_BalabanIndex,0.15309450400570057
_feat_CyclomaticNumber,0.009978802853008562
_feat_HyperWienerIndex,0.1327646201811883
_feat_WienerIndex,0.13278982425968233
_feat_WienerPolarity,0.04471330733980139
_feat_MinimalProjectionArea,0.12350884588441846
_feat_MaximalProjectionArea,0.17544951010739385
_feat_MinimalProjectionRadius,0.17572880043704364
_feat_MaximalProjectionRadius,0.15509671573705108
_feat_LengthPerpendicularToTheMinArea,0.13960904321809986
_feat_LengthPerpendicularToTheMaxArea,0.17774783906484592
_feat_VanderWaalsVolume,0.19630972429409055
_feat_VanderWaalsSurfaceArea,0.1911819438088873
_feat_ASA,0.15352495568390756
_feat_ASA+,0.14732420586568673
_feat_ASA-,0.18421974437899546
_feat_ASA_H,0.15898354150295146
_feat_ASA_P,0.15731183351761113
_feat_PolarSurfaceArea,0.053976641869605047
_feat_acceptorcount,0.020374083127714382
_feat_Accsitecount,0.0
_feat_donorcount,0.06201608799118041
_feat_donsitecount,0.06089916466848244
_feat_sol,0.14355927898527776
_feat_fr_NH2,0.0
_feat_fr_NH1,0.0
_feat_fr_NH0,0.033367112286149414
_feat_fr_quatN,0.0
_feat_fr_ArN,0.03414976121158819
_feat_fr_Ar_NH,0.0054916586386342114
fr_Imine,0.0
fr_amidine,0.0
_feat_fr_dihydropyridine,0.014849795358316209
_feat_fr_guanido,0.0
_feat_fr_piperdine,0.0
_feat_fr_piperzine,0.008465132788877172
_feat_fr_pyridine,0.043518938656073036
_calc_Amine_H3BO3_MolRatio,0.02758355194879858
_calc_VOSO4xH2O_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MassRatio,0.0
_calc_AmineConc,0.03128054233882094
_calc_avgNitrogenVDWVol,0.14287796307614542
_calc_avgNitrogenVDWSurface,0.1846975208742061
_calc_CarbonNitrogenRatio,0.031508062795085445
_calc_avgNitrogenWaterAssessSurface,0.18564450832442536
_calc_pbKaUnderPhCount,0.0064479715142859995
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_bpKa1', '_feat_bpKa2', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_CarbonNitrogenRatio', '_calc_pbKaUnderPhCount']

Triangle data:

Feature, Mutual Info Score (top 5)
_raw_H3BO3/g,0.0
_raw_VOSO4xH2O/g,0.0
_raw_Amine/g,0.004004930869539569
_raw_Amine_Mol,0.0
_raw_VOSO4xH2O_Mol,0.0
_raw_H3BO3_Mol,0.0
_rxn_H2O/g,0.01538654529681982
_rxn_pH,0.05716817602578472
_rxn_Oven Temperature/C,0.0
_rxn_Aging Time/hrs,0.0
_rxn_Vessel Size/mL,0.0
_feat_Mass,0.1137537520391032
_feat_Mass_Nosalt,0.10878839912887228
_feat_AtomCount_C,0.0
_feat_AtomCount_N,0.0
_feat_AvgPol,0.1979268516620054
_feat_MolPol,0.1102705458981934
_feat_Refractivity,0.19164598295331614
_feat_bpKa1,0.22175314404288438
_feat_bpKa2,0.18503602707523625
_feat_AliphaticRingCount,0.011056276543176091
_feat_AromaticRingCount,0.023728001567842272
_feat_Aliphatic AtomCount,0.03006675346387011
_feat_AromaticAtomCount,0.0
_feat_BondCount,0.07361936629219268
_feat_CarboaliphaticRingCount,0.014369477487955917
_feat_CarboaromaticRingCount,0.0
_feat_CarboRingCount,0.0
_feat_ChainAtomCount,0.039139183707691094
_feat_ChiralCenterCount,0.022425282372572575
_feat_RingAtomCount,0.01760054711608472
_feat_SmallestRingSize,0.039916527489340714
_feat_LargestRingSize,0.02676114114509942
_feat_fsp3,0.02191170493747263
_feat_HeteroaliphaticRingCount,0.021126192107874253
_feat_HeteroaromaticRing Count,0.0
_feat_RotatableBondCount,0.0358624276135584
_feat_BalabanIndex,0.15849978724791902
_feat_CyclomaticNumber,0.044785168050705426
_feat_HyperWienerIndex,0.1815675829845944
_feat_WienerIndex,0.149272820487516
_feat_WienerPolarity,0.07077137052150517
_feat_MinimalProjectionArea,0.11653877957882797
_feat_MaximalProjectionArea,0.19814824361097072
_feat_MinimalProjectionRadius,0.15843820363387984
_feat_MaximalProjectionRadius,0.1781043346116966
_feat_LengthPerpendicularToTheMinArea,0.16743525512416713
_feat_LengthPerpendicularToTheMaxArea,0.14080201407945592
_feat_VanderWaalsVolume,0.21244682522222647
_feat_VanderWaalsSurfaceArea,0.2081650036117868
_feat_ASA,0.20109047536025626
_feat_ASA+,0.2191674805013606
_feat_ASA-,0.17102786626030841
_feat_ASA_H,0.19293234741502907
_feat_ASA_P,0.18095856548136213
_feat_PolarSurfaceArea,0.10918641245511318
_feat_acceptorcount,0.0
_feat_Accsitecount,0.0
_feat_donorcount,0.0362258779938045
_feat_donsitecount,0.0671505845551632
_feat_sol,0.16166549152824805
_feat_fr_NH2,0.06481212746686871
_feat_fr_NH1,0.025637350563104677
_feat_fr_NH0,0.0
_feat_fr_quatN,0.0
_feat_fr_ArN,0.0
_feat_fr_Ar_NH,0.0
fr_Imine,0.01968594223166531
fr_amidine,0.023905338497063777
_feat_fr_dihydropyridine,0.0
_feat_fr_guanido,0.04650253339810151
_feat_fr_piperdine,0.0
_feat_fr_piperzine,0.01178745756847488
_feat_fr_pyridine,0.0038438823725774895
_calc_Amine_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MassRatio,0.0
_calc_AmineConc,0.0
_calc_avgNitrogenVDWVol,0.2234380617749745
_calc_avgNitrogenVDWSurface,0.20150976295254486
_calc_CarbonNitrogenRatio,0.06133899628023021
_calc_avgNitrogenWaterAssessSurface,0.20392163088345283
_calc_pbKaUnderPhCount,0.05614822213700621
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_bpKa2', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_ASA', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface', '_calc_pbKaUnderPhCount']

Keeping from human: ['_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA-', '_calc_avgNitrogenVDWSurface', '_calc_avgNitrogenWaterAssessSurface']

Keeping from triangle: ['_feat_bpKa1', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA+', '_calc_avgNitrogenVDWVol']
Number of features in filtered human set:5
Number of features in filtered triangle set:5

Evaluating features based on: Mutual Info Score (top 10)
Human data:

Feature, Mutual Info Score (top 10)
_raw_H3BO3/g,0.01717459032029045
_raw_VOSO4xH2O/g,0.0
_raw_Amine/g,0.04501397738828805
_raw_Amine_Mol,0.005617990863554745
_raw_VOSO4xH2O_Mol,0.0
_raw_H3BO3_Mol,0.022720629458406583
_rxn_H2O/g,0.024655091550732866
_rxn_pH,0.0
_rxn_Oven Temperature/C,0.0
_rxn_Aging Time/hrs,0.006229533635248474
_rxn_Vessel Size/mL,0.0
_feat_Mass,0.057385423941140656
_feat_Mass_Nosalt,0.06269747354522015
_feat_AtomCount_C,0.06464579862224396
_feat_AtomCount_N,0.0
_feat_AvgPol,0.1677581461816453
_feat_MolPol,0.09333191851545952
_feat_Refractivity,0.17300633627698137
_feat_bpKa1,0.1569186421181774
_feat_bpKa2,0.13397439513656062
_feat_AliphaticRingCount,0.016481002169528303
_feat_AromaticRingCount,0.0
_feat_Aliphatic AtomCount,0.06087062502868301
_feat_AromaticAtomCount,0.0
_feat_BondCount,0.09954334491558825
_feat_CarboaliphaticRingCount,0.030936348484267517
_feat_CarboaromaticRingCount,0.01760555011042575
_feat_CarboRingCount,0.019058606624839713
_feat_ChainAtomCount,0.09783495780779328
_feat_ChiralCenterCount,0.0
_feat_RingAtomCount,0.0092098472094988
_feat_SmallestRingSize,0.006314817201698686
_feat_LargestRingSize,0.013655614577665842
_feat_fsp3,0.002878504049077968
_feat_HeteroaliphaticRingCount,0.01313385575907322
_feat_HeteroaromaticRing Count,0.008459778474068758
_feat_RotatableBondCount,0.12343022662668757
_feat_BalabanIndex,0.15473285392033054
_feat_CyclomaticNumber,0.019658816444789506
_feat_HyperWienerIndex,0.1723941650571974
_feat_WienerIndex,0.15763192711420682
_feat_WienerPolarity,0.06138779915654613
_feat_MinimalProjectionArea,0.19521354824786585
_feat_MaximalProjectionArea,0.21420060052004652
_feat_MinimalProjectionRadius,0.1798400493485104
_feat_MaximalProjectionRadius,0.15868348515587827
_feat_LengthPerpendicularToTheMinArea,0.15927524704795948
_feat_LengthPerpendicularToTheMaxArea,0.14578556335092863
_feat_VanderWaalsVolume,0.18007858243797958
_feat_VanderWaalsSurfaceArea,0.18379491843459084
_feat_ASA,0.1602990281852983
_feat_ASA+,0.16451513807790752
_feat_ASA-,0.17260641686514777
_feat_ASA_H,0.15876515790007084
_feat_ASA_P,0.12951756953224924
_feat_PolarSurfaceArea,0.04576724111677399
_feat_acceptorcount,0.015580189266590327
_feat_Accsitecount,0.03559582147808715
_feat_donorcount,0.048096217020599186
_feat_donsitecount,0.022322494642428303
_feat_sol,0.12944113700541515
_feat_fr_NH2,0.018449907377788843
_feat_fr_NH1,0.003922319610830005
_feat_fr_NH0,0.02526298799161153
_feat_fr_quatN,0.014963348688797451
_feat_fr_ArN,0.01875390837024571
_feat_fr_Ar_NH,0.0
fr_Imine,0.02082794807687538
fr_amidine,0.0
_feat_fr_dihydropyridine,0.0
_feat_fr_guanido,0.0
_feat_fr_piperdine,0.004691645203544592
_feat_fr_piperzine,0.04718619706788152
_feat_fr_pyridine,0.015249574100619556
_calc_Amine_H3BO3_MolRatio,0.02758355194879858
_calc_VOSO4xH2O_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MassRatio,0.0
_calc_AmineConc,0.03128054233882094
_calc_avgNitrogenVDWVol,0.16794053903982054
_calc_avgNitrogenVDWSurface,0.16337278570731395
_calc_CarbonNitrogenRatio,0.03853791979565724
_calc_avgNitrogenWaterAssessSurface,0.18192517575907452
_calc_pbKaUnderPhCount,0.0
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_bpKa1', '_feat_bpKa2', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_pbKaUnderPhCount']

Triangle data:

Feature, Mutual Info Score (top 10)
_raw_H3BO3/g,0.0
_raw_VOSO4xH2O/g,0.005231219746757221
_raw_Amine/g,0.004840506705115377
_raw_Amine_Mol,0.0
_raw_VOSO4xH2O_Mol,0.0
_raw_H3BO3_Mol,0.0056696849181943065
_rxn_H2O/g,0.015522425301120357
_rxn_pH,0.0508039352150933
_rxn_Oven Temperature/C,0.0
_rxn_Aging Time/hrs,0.0
_rxn_Vessel Size/mL,0.010182021079137238
_feat_Mass,0.1336151993774488
_feat_Mass_Nosalt,0.12425492522250159
_feat_AtomCount_C,0.0
_feat_AtomCount_N,0.0015107580851188018
_feat_AvgPol,0.15880333717084372
_feat_MolPol,0.09298832030673632
_feat_Refractivity,0.191381582541857
_feat_bpKa1,0.1977061838951486
_feat_bpKa2,0.20679626752950653
_feat_AliphaticRingCount,0.0009194311781710596
_feat_AromaticRingCount,0.028013701573356364
_feat_Aliphatic AtomCount,0.06002058203611971
_feat_AromaticAtomCount,0.0
_feat_BondCount,0.07621676372782527
_feat_CarboaliphaticRingCount,0.0
_feat_CarboaromaticRingCount,0.029565314374969454
_feat_CarboRingCount,0.023027394257496336
_feat_ChainAtomCount,0.031082770202361276
_feat_ChiralCenterCount,0.0015082975128630771
_feat_RingAtomCount,0.041871056796811246
_feat_SmallestRingSize,0.0
_feat_LargestRingSize,0.03649574135879985
_feat_fsp3,0.0185901037274947
_feat_HeteroaliphaticRingCount,0.011972275678989286
_feat_HeteroaromaticRing Count,0.01121786586498219
_feat_RotatableBondCount,0.05967978723264444
_feat_BalabanIndex,0.15893220498401894
_feat_CyclomaticNumber,0.0
_feat_HyperWienerIndex,0.15499909324426042
_feat_WienerIndex,0.11464035251526461
_feat_WienerPolarity,0.07823143679542599
_feat_MinimalProjectionArea,0.11375701434698615
_feat_MaximalProjectionArea,0.18473023850178905
_feat_MinimalProjectionRadius,0.15363504051182342
_feat_MaximalProjectionRadius,0.1946833323649686
_feat_LengthPerpendicularToTheMinArea,0.16696361715252905
_feat_LengthPerpendicularToTheMaxArea,0.12433160564278123
_feat_VanderWaalsVolume,0.20660628526403935
_feat_VanderWaalsSurfaceArea,0.2065505958944378
_feat_ASA,0.19960200071960776
_feat_ASA+,0.19940848985527326
_feat_ASA-,0.19539576170448703
_feat_ASA_H,0.18549653362280916
_feat_ASA_P,0.1839682483439864
_feat_PolarSurfaceArea,0.10892332889758216
_feat_acceptorcount,0.022702703375529598
_feat_Accsitecount,0.030595305002651285
_feat_donorcount,0.03337342447194769
_feat_donsitecount,0.06426711304167099
_feat_sol,0.16969982691552477
_feat_fr_NH2,0.09183750346049036
_feat_fr_NH1,0.0020916503761001515
_feat_fr_NH0,0.06488427929926499
_feat_fr_quatN,0.022053465024884922
_feat_fr_ArN,0.010626501523617993
_feat_fr_Ar_NH,0.0
fr_Imine,0.0
fr_amidine,0.0
_feat_fr_dihydropyridine,0.0007432962147160271
_feat_fr_guanido,0.0
_feat_fr_piperdine,0.0
_feat_fr_piperzine,0.008066241889054915
_feat_fr_pyridine,0.03065954710232921
_calc_Amine_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MassRatio,0.0
_calc_AmineConc,0.0
_calc_avgNitrogenVDWVol,0.22265798599489894
_calc_avgNitrogenVDWSurface,0.19486909241481554
_calc_CarbonNitrogenRatio,0.05407525042902317
_calc_avgNitrogenWaterAssessSurface,0.20504284711336473
_calc_pbKaUnderPhCount,0.01271386706238986
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_CarbonNitrogenRatio', '_calc_pbKaUnderPhCount']

Keeping from human: ['_feat_Refractivity', '_feat_HyperWienerIndex', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA-', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenWaterAssessSurface']

Keeping from triangle: ['_feat_bpKa1', '_feat_bpKa2', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_avgNitrogenWaterAssessSurface']
Number of features in filtered human set:10
Number of features in filtered triangle set:10

Evaluating features based on: Mutual Info Score (top 20)
Human data:

Feature, Mutual Info Score (top 20)
_raw_H3BO3/g,0.03532897935262369
_raw_VOSO4xH2O/g,0.0
_raw_Amine/g,0.04032932109763587
_raw_Amine_Mol,0.005974878800742545
_raw_VOSO4xH2O_Mol,0.004236334552834675
_raw_H3BO3_Mol,0.005322033526619974
_rxn_H2O/g,0.025325531032735604
_rxn_pH,0.030449617119391315
_rxn_Oven Temperature/C,0.04674534081660364
_rxn_Aging Time/hrs,0.015303515174275972
_rxn_Vessel Size/mL,0.029028226419140823
_feat_Mass,0.07118851076198696
_feat_Mass_Nosalt,0.08956945973543573
_feat_AtomCount_C,0.035079414379650675
_feat_AtomCount_N,0.026854023187781406
_feat_AvgPol,0.1453549056303205
_feat_MolPol,0.07775084944205579
_feat_Refractivity,0.16292652124683693
_feat_bpKa1,0.15772610332787762
_feat_bpKa2,0.14862024397663753
_feat_AliphaticRingCount,0.0005906635062034038
_feat_AromaticRingCount,0.0
_feat_Aliphatic AtomCount,0.018406221979211157
_feat_AromaticAtomCount,0.0
_feat_BondCount,0.1152904937129624
_feat_CarboaliphaticRingCount,0.041133370867530994
_feat_CarboaromaticRingCount,0.0
_feat_CarboRingCount,0.0
_feat_ChainAtomCount,0.09799499168097547
_feat_ChiralCenterCount,0.0205812862439938
_feat_RingAtomCount,0.0
_feat_SmallestRingSize,0.0
_feat_LargestRingSize,0.0
_feat_fsp3,0.0026253656476402654
_feat_HeteroaliphaticRingCount,0.0
_feat_HeteroaromaticRing Count,0.01246701900117042
_feat_RotatableBondCount,0.08874388590771698
_feat_BalabanIndex,0.16914595794279386
_feat_CyclomaticNumber,0.0
_feat_HyperWienerIndex,0.1538081991854261
_feat_WienerIndex,0.15483151772160286
_feat_WienerPolarity,0.07880902331995832
_feat_MinimalProjectionArea,0.1559635409003708
_feat_MaximalProjectionArea,0.17664946611208632
_feat_MinimalProjectionRadius,0.1483544993328847
_feat_MaximalProjectionRadius,0.1603263443061207
_feat_LengthPerpendicularToTheMinArea,0.1462618865473022
_feat_LengthPerpendicularToTheMaxArea,0.1570862044275747
_feat_VanderWaalsVolume,0.17240946311260452
_feat_VanderWaalsSurfaceArea,0.19960141289356703
_feat_ASA,0.15826794872931016
_feat_ASA+,0.13374610105477025
_feat_ASA-,0.1932062148464211
_feat_ASA_H,0.18295134769834642
_feat_ASA_P,0.14908255790586034
_feat_PolarSurfaceArea,0.07378037842520291
_feat_acceptorcount,0.0
_feat_Accsitecount,0.0
_feat_donorcount,0.0634485648034282
_feat_donsitecount,0.04730412601979217
_feat_sol,0.15941657201097437
_feat_fr_NH2,0.03769594838024548
_feat_fr_NH1,0.0
_feat_fr_NH0,0.045394236612314565
_feat_fr_quatN,0.006551343600905479
_feat_fr_ArN,0.027462268481690755
_feat_fr_Ar_NH,0.0
fr_Imine,0.0
fr_amidine,0.0
_feat_fr_dihydropyridine,0.010968248319138008
_feat_fr_guanido,0.0
_feat_fr_piperdine,0.004103582523610649
_feat_fr_piperzine,0.035344649705585374
_feat_fr_pyridine,0.0
_calc_Amine_H3BO3_MolRatio,0.02758355194879858
_calc_VOSO4xH2O_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MassRatio,0.0
_calc_AmineConc,0.03128054233882094
_calc_avgNitrogenVDWVol,0.16204083708638595
_calc_avgNitrogenVDWSurface,0.1690114247270902
_calc_CarbonNitrogenRatio,0.0011178735108998694
_calc_avgNitrogenWaterAssessSurface,0.17923080692930515
_calc_pbKaUnderPhCount,0.0
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_CyclomaticNumber', '_feat_WienerPolarity', '_feat_MinimalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_ASA+', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_CarbonNitrogenRatio', '_calc_pbKaUnderPhCount']

Triangle data:

Feature, Mutual Info Score (top 20)
_raw_H3BO3/g,0.0
_raw_VOSO4xH2O/g,0.0
_raw_Amine/g,0.0005139398785485305
_raw_Amine_Mol,0.0
_raw_VOSO4xH2O_Mol,0.0015369796554582926
_raw_H3BO3_Mol,0.0
_rxn_H2O/g,0.014542695571390762
_rxn_pH,0.06219572310916455
_rxn_Oven Temperature/C,0.0
_rxn_Aging Time/hrs,0.0
_rxn_Vessel Size/mL,0.015468926087404578
_feat_Mass,0.13362467594287164
_feat_Mass_Nosalt,0.12194221213352341
_feat_AtomCount_C,0.0113121899107127
_feat_AtomCount_N,0.009928084609593046
_feat_AvgPol,0.1831348883700421
_feat_MolPol,0.08267740013473324
_feat_Refractivity,0.20931579437312764
_feat_bpKa1,0.20633684136851715
_feat_bpKa2,0.21501424811192504
_feat_AliphaticRingCount,0.0
_feat_AromaticRingCount,0.03821421146426918
_feat_Aliphatic AtomCount,0.02837101841674161
_feat_AromaticAtomCount,0.017050101991336053
_feat_BondCount,0.04311216218204761
_feat_CarboaliphaticRingCount,0.010318695182698123
_feat_CarboaromaticRingCount,0.010333905755184336
_feat_CarboRingCount,0.006838252309672166
_feat_ChainAtomCount,0.03559886925186739
_feat_ChiralCenterCount,0.06172111100848876
_feat_RingAtomCount,0.05363736400772723
_feat_SmallestRingSize,0.0007827987658282076
_feat_LargestRingSize,0.0
_feat_fsp3,0.04804890131443873
_feat_HeteroaliphaticRingCount,0.0
_feat_HeteroaromaticRing Count,0.0
_feat_RotatableBondCount,0.015140027582133397
_feat_BalabanIndex,0.16585828320935625
_feat_CyclomaticNumber,0.011940222864428973
_feat_HyperWienerIndex,0.1893654833459446
_feat_WienerIndex,0.12695291643830187
_feat_WienerPolarity,0.07672187731373015
_feat_MinimalProjectionArea,0.127147295143623
_feat_MaximalProjectionArea,0.1869498305055366
_feat_MinimalProjectionRadius,0.20284668620937674
_feat_MaximalProjectionRadius,0.18384477660213872
_feat_LengthPerpendicularToTheMinArea,0.15891530660421882
_feat_LengthPerpendicularToTheMaxArea,0.13654805737169107
_feat_VanderWaalsVolume,0.199025983197056
_feat_VanderWaalsSurfaceArea,0.22332895002573316
_feat_ASA,0.19802789164549872
_feat_ASA+,0.21360267442024994
_feat_ASA-,0.18683958840092307
_feat_ASA_H,0.15590376732288136
_feat_ASA_P,0.176266645715913
_feat_PolarSurfaceArea,0.09303275325605753
_feat_acceptorcount,0.05409342719642618
_feat_Accsitecount,0.004150661297777525
_feat_donorcount,0.04672509341528408
_feat_donsitecount,0.061409360563524196
_feat_sol,0.15893809130084824
_feat_fr_NH2,0.05776837176502947
_feat_fr_NH1,0.007442530203930264
_feat_fr_NH0,0.05057120505130697
_feat_fr_quatN,0.00028996658568991585
_feat_fr_ArN,0.038103065648788625
_feat_fr_Ar_NH,0.034429547532546234
fr_Imine,0.0
fr_amidine,0.0
_feat_fr_dihydropyridine,0.0
_feat_fr_guanido,0.0026967105165958127
_feat_fr_piperdine,0.05622034273170584
_feat_fr_piperzine,0.08100397742293386
_feat_fr_pyridine,0.039177431750244684
_calc_Amine_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MolRatio,0.0
_calc_VOSO4xH2O_H3BO3_MassRatio,0.0
_calc_AmineConc,0.0
_calc_avgNitrogenVDWVol,0.19665002998694292
_calc_avgNitrogenVDWSurface,0.23210451465023763
_calc_CarbonNitrogenRatio,0.0
_calc_avgNitrogenWaterAssessSurface,0.1941147152293503
_calc_pbKaUnderPhCount,0.021808728820396306
Features to be removed:['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_MolPol', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_CyclomaticNumber', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_ASA_H', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_CarbonNitrogenRatio', '_calc_pbKaUnderPhCount']

Keeping from human: ['_feat_Refractivity', '_feat_bpKa1', '_feat_bpKa2', '_feat_BalabanIndex', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_sol', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_avgNitrogenWaterAssessSurface']

Keeping from triangle: ['_feat_AvgPol', '_feat_Refractivity', '_feat_bpKa1', '_feat_bpKa2', '_feat_BalabanIndex', '_feat_HyperWienerIndex', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_P', '_feat_sol', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_avgNitrogenWaterAssessSurface']
Number of features in filtered human set:20
Number of features in filtered triangle set:20

Evaluating features based on: Variance
Human data:

Feature, Variance
_raw_H3BO3/g,0.054410377358142685
_raw_VOSO4xH2O/g,0.004974887985180357
_raw_Amine/g,0.1504404939197299
_raw_Amine_Mol,1.6208167455027287e-05
_raw_VOSO4xH2O_Mol,1.5183554034287238e-07
_raw_H3BO3_Mol,1.4232566923211886e-05
_rxn_H2O/g,7.625229603322136
_rxn_pH,0.39247279780273175
_rxn_Oven Temperature/C,0.0
_rxn_Aging Time/hrs,184.85752147059205
_rxn_Vessel Size/mL,0.0
_feat_Mass,674.6682043001174
_feat_Mass_Nosalt,640.3545148978696
_feat_AtomCount_C,2.4678365254552275
_feat_AtomCount_N,0.2179202068880122
_feat_AvgPol,11.18701332300117
_feat_MolPol,9.913659295058492
_feat_Refractivity,66.12657542287788
_feat_bpKa1,0.2792034710599806
_feat_bpKa2,3.901094738386626
_feat_AliphaticRingCount,0.2174708490570379
_feat_AromaticRingCount,0.008546969356547278
_feat_Aliphatic AtomCount,3.3170036086184833
_feat_AromaticAtomCount,0.30769089683569184
_feat_BondCount,24.8190784496238
_feat_CarboaliphaticRingCount,0.0
_feat_CarboaromaticRingCount,0.0
_feat_CarboRingCount,0.0
_feat_ChainAtomCount,7.011797935705181
_feat_ChiralCenterCount,0.31065299029295607
_feat_RingAtomCount,6.647845604317541
_feat_SmallestRingSize,6.011885056100999
_feat_LargestRingSize,6.011885056100999
_feat_fsp3,0.0021367423391368194
_feat_HeteroaliphaticRingCount,0.2174708490570379
_feat_HeteroaromaticRing Count,0.008546969356547278
_feat_RotatableBondCount,3.515344652871053
_feat_BalabanIndex,0.12960993906157595
_feat_CyclomaticNumber,0.22401863459413401
_feat_HyperWienerIndex,33495.59588975141
_feat_WienerIndex,3171.9397401978044
_feat_WienerPolarity,5.899087069957669
_feat_MinimalProjectionArea,19.582866944229277
_feat_MaximalProjectionArea,81.97765336995398
_feat_MinimalProjectionRadius,0.1711710741944797
_feat_MaximalProjectionRadius,0.8801482449825542
_feat_LengthPerpendicularToTheMinArea,3.6393165514996157
_feat_LengthPerpendicularToTheMaxArea,0.16336353140231685
_feat_VanderWaalsVolume,814.6581057760837
_feat_VanderWaalsSurfaceArea,2832.188583526911
_feat_ASA,3461.210734239685
_feat_ASA+,2046.8616374195958
_feat_ASA-,552.1710687306569
_feat_ASA_H,3528.4557010743297
_feat_ASA_P,50.01182184429302
_feat_PolarSurfaceArea,406.25579149888307
_feat_acceptorcount,0.2179202068880122
_feat_Accsitecount,0.2179202068880122
_feat_donorcount,0.7627803327999151
_feat_donsitecount,2.802332992493882
_feat_sol,0.22951141271682654
_feat_fr_NH2,0.9671556107827571
_feat_fr_NH1,0.657538894671443
_feat_fr_NH0,0.5659524322638958
_feat_fr_quatN,0.0
_feat_fr_ArN,0.0
_feat_fr_Ar_NH,0.0
fr_Imine,0.0
fr_amidine,0.0
_feat_fr_dihydropyridine,0.0
_feat_fr_guanido,0.0
_feat_fr_piperdine,0.13482569042913667
_feat_fr_piperzine,0.1825860084644341
_feat_fr_pyridine,0.008546969356547278
_calc_Amine_H3BO3_MolRatio,0.1932407743841007
_calc_VOSO4xH2O_H3BO3_MolRatio,0.002767014356021351
_calc_VOSO4xH2O_H3BO3_MassRatio,0.023714985015699817
_calc_AmineConc,3.4086859578475677
_calc_avgNitrogenVDWVol,144.61931633901975
_calc_avgNitrogenVDWSurface,564.2996607238406
_calc_CarbonNitrogenRatio,0.5201469430716464
_calc_avgNitrogenWaterAssessSurface,955.944644573151
_calc_pbKaUnderPhCount,0.27582317310822857
Features to be removed:['_rxn_Oven Temperature/C', '_rxn_Vessel Size/mL', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido']

Triangle data:

Feature, Variance
_raw_H3BO3/g,0.0004541276452885317
_raw_VOSO4xH2O/g,4.743635016508402e-05
_raw_Amine/g,0.08054092151964935
_raw_Amine_Mol,4.314508397381928e-06
_raw_VOSO4xH2O_Mol,1.4477747696760329e-09
_raw_H3BO3_Mol,1.187898931592597e-07
_rxn_H2O/g,0.030818651358728997
_rxn_pH,3.0334842951059167
_rxn_Oven Temperature/C,0.0
_rxn_Aging Time/hrs,0.0
_rxn_Vessel Size/mL,0.0
_feat_Mass,1091.5557874945237
_feat_Mass_Nosalt,1071.2958381709293
_feat_AtomCount_C,4.099342585829072
_feat_AtomCount_N,0.5756026296566811
_feat_AvgPol,18.4141246165084
_feat_MolPol,16.681459167275403
_feat_Refractivity,106.15264937910837
_feat_bpKa1,0.770249525200879
_feat_bpKa2,4.818613002191379
_feat_AliphaticRingCount,0.3360116873630394
_feat_AromaticRingCount,0.10518626734842795
_feat_Aliphatic AtomCount,6.778670562454358
_feat_AromaticAtomCount,3.7867056245434862
_feat_BondCount,39.751643535427284
_feat_CarboaliphaticRingCount,0.0
_feat_CarboaromaticRingCount,0.0
_feat_CarboRingCount,0.0
_feat_ChainAtomCount,12.6691015339664
_feat_ChiralCenterCount,0.3170197224251286
_feat_RingAtomCount,10.83856829802776
_feat_SmallestRingSize,7.501826150474786
_feat_LargestRingSize,7.501826150474786
_feat_fsp3,0.02629656683710699
_feat_HeteroaliphaticRingCount,0.3360116873630394
_feat_HeteroaromaticRing Count,0.10518626734842795
_feat_RotatableBondCount,6.243973703433158
_feat_BalabanIndex,0.21717954711468196
_feat_CyclomaticNumber,0.4032140248356488
_feat_HyperWienerIndex,91800.15047479881
_feat_WienerIndex,7643.4404674944935
_feat_WienerPolarity,11.323593864134383
_feat_MinimalProjectionArea,42.255145945945955
_feat_MaximalProjectionArea,143.50669510591672
_feat_MinimalProjectionRadius,0.4439478451424392
_feat_MaximalProjectionRadius,1.2288219138056973
_feat_LengthPerpendicularToTheMinArea,5.138651570489403
_feat_LengthPerpendicularToTheMaxArea,0.43658802045288236
_feat_VanderWaalsVolume,1328.1858674945163
_feat_VanderWaalsSurfaceArea,4319.030740832719
_feat_ASA,4920.960695252012
_feat_ASA+,3203.02727494522
_feat_ASA-,851.2148208911624
_feat_ASA_H,4739.397042366693
_feat_ASA_P,135.12702410518634
_feat_PolarSurfaceArea,432.9374134404669
_feat_acceptorcount,0.5756026296566811
_feat_Accsitecount,0.5756026296566811
_feat_donorcount,1.0620891161431738
_feat_donsitecount,3.0489408327246244
_feat_sol,0.6663889196566841
_feat_fr_NH2,0.7830533235938626
_feat_fr_NH1,0.6413440467494531
_feat_fr_NH0,0.518626734842951
_feat_fr_quatN,0.0
_feat_fr_ArN,0.0
_feat_fr_Ar_NH,0.0
fr_Imine,0.0
fr_amidine,0.0
_feat_fr_dihydropyridine,0.0
_feat_fr_guanido,0.0
_feat_fr_piperdine,0.2585829072315583
_feat_fr_piperzine,0.34623813002191295
_feat_fr_pyridine,0.10518626734842795
_calc_Amine_H3BO3_MolRatio,0.17093490928588007
_calc_VOSO4xH2O_H3BO3_MolRatio,8.797516641199398e-05
_calc_VOSO4xH2O_H3BO3_MassRatio,0.0007540006685929763
_calc_AmineConc,0.11826652912679853
_calc_avgNitrogenVDWVol,286.82375423642793
_calc_avgNitrogenVDWSurface,1029.0869559872338
_calc_CarbonNitrogenRatio,1.0656148040178206
_calc_avgNitrogenWaterAssessSurface,1960.869615913696
_calc_pbKaUnderPhCount,0.2905478451424368
Features to be removed:['_rxn_Oven Temperature/C', '_rxn_Aging Time/hrs', '_rxn_Vessel Size/mL', '_feat_CarboaliphaticRingCount', '_feat_CarboaromaticRingCount', '_feat_CarboRingCount', '_feat_fr_quatN', '_feat_fr_ArN', '_feat_fr_Ar_NH', 'fr_Imine', 'fr_amidine', '_feat_fr_dihydropyridine', '_feat_fr_guanido']

Keeping from human: ['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_rxn_Aging Time/hrs', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_bpKa1', '_feat_bpKa2', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface', '_calc_pbKaUnderPhCount']

Keeping from triangle: ['_raw_H3BO3/g', '_raw_VOSO4xH2O/g', '_raw_Amine/g', '_raw_Amine_Mol', '_raw_VOSO4xH2O_Mol', '_raw_H3BO3_Mol', '_rxn_H2O/g', '_rxn_pH', '_feat_Mass', '_feat_Mass_Nosalt', '_feat_AtomCount_C', '_feat_AtomCount_N', '_feat_AvgPol', '_feat_MolPol', '_feat_Refractivity', '_feat_bpKa1', '_feat_bpKa2', '_feat_AliphaticRingCount', '_feat_AromaticRingCount', '_feat_Aliphatic AtomCount', '_feat_AromaticAtomCount', '_feat_BondCount', '_feat_ChainAtomCount', '_feat_ChiralCenterCount', '_feat_RingAtomCount', '_feat_SmallestRingSize', '_feat_LargestRingSize', '_feat_fsp3', '_feat_HeteroaliphaticRingCount', '_feat_HeteroaromaticRing Count', '_feat_RotatableBondCount', '_feat_BalabanIndex', '_feat_CyclomaticNumber', '_feat_HyperWienerIndex', '_feat_WienerIndex', '_feat_WienerPolarity', '_feat_MinimalProjectionArea', '_feat_MaximalProjectionArea', '_feat_MinimalProjectionRadius', '_feat_MaximalProjectionRadius', '_feat_LengthPerpendicularToTheMinArea', '_feat_LengthPerpendicularToTheMaxArea', '_feat_VanderWaalsVolume', '_feat_VanderWaalsSurfaceArea', '_feat_ASA', '_feat_ASA+', '_feat_ASA-', '_feat_ASA_H', '_feat_ASA_P', '_feat_PolarSurfaceArea', '_feat_acceptorcount', '_feat_Accsitecount', '_feat_donorcount', '_feat_donsitecount', '_feat_sol', '_feat_fr_NH2', '_feat_fr_NH1', '_feat_fr_NH0', '_feat_fr_piperdine', '_feat_fr_piperzine', '_feat_fr_pyridine', '_calc_Amine_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MolRatio', '_calc_VOSO4xH2O_H3BO3_MassRatio', '_calc_AmineConc', '_calc_avgNitrogenVDWVol', '_calc_avgNitrogenVDWSurface', '_calc_CarbonNitrogenRatio', '_calc_avgNitrogenWaterAssessSurface', '_calc_pbKaUnderPhCount']
Number of features in filtered human set:71
Number of features in filtered triangle set:70

--- Evaluating models for feature set:All ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.43636363636363634
auc:0.4121597737716508
mcc:-0.1717199333762293
              precision    recall  f1-score   support

       False       0.56      0.51      0.53        69
        True       0.28      0.32      0.30        41

   micro avg       0.44      0.44      0.44       110
   macro avg       0.42      0.41      0.41       110
weighted avg       0.45      0.44      0.44       110

TN: 35
FN: 28
TP: 13
FP: 34

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

Human model saved: KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')
accuracy:0.6909090909090909
auc:0.6447507953340403
mcc:0.31115231424681816
              precision    recall  f1-score   support

       False       0.72      0.83      0.77        69
        True       0.61      0.46      0.53        41

   micro avg       0.69      0.69      0.69       110
   macro avg       0.67      0.64      0.65       110
weighted avg       0.68      0.69      0.68       110

TN: 57
FN: 22
TP: 19
FP: 12

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.509090909090909
auc:0.5047720042417816
mcc:0.009235744878881904
              precision    recall  f1-score   support

       False       0.63      0.52      0.57        69
        True       0.38      0.49      0.43        41

   micro avg       0.51      0.51      0.51       110
   macro avg       0.50      0.50      0.50       110
weighted avg       0.54      0.51      0.52       110

TN: 36
FN: 21
TP: 20
FP: 33

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.5272727272727272
auc:0.4895722870272181
mcc:-0.0210801676283718
              precision    recall  f1-score   support

       False       0.62      0.64      0.63        69
        True       0.36      0.34      0.35        41

   micro avg       0.53      0.53      0.53       110
   macro avg       0.49      0.49      0.49       110
weighted avg       0.52      0.53      0.52       110

TN: 44
FN: 27
TP: 14
FP: 25

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.5
auc:0.5519618239660657
mcc:0.10873881653476042
              precision    recall  f1-score   support

       False       0.71      0.35      0.47        69
        True       0.41      0.76      0.53        41

   micro avg       0.50      0.50      0.50       110
   macro avg       0.56      0.55      0.50       110
weighted avg       0.59      0.50      0.49       110

TN: 24
FN: 10
TP: 31
FP: 45

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.509090909090909
auc:0.4948745139625309
mcc:-0.009972833459831413
              precision    recall  f1-score   support

       False       0.62      0.55      0.58        69
        True       0.37      0.44      0.40        41

   micro avg       0.51      0.51      0.51       110
   macro avg       0.50      0.49      0.49       110
weighted avg       0.53      0.51      0.52       110

TN: 38
FN: 23
TP: 18
FP: 31

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.6272727272727273
auc:0.5742311770943797
mcc:0.1611859546704764
              precision    recall  f1-score   support

       False       0.68      0.78      0.72        69
        True       0.50      0.37      0.42        41

   micro avg       0.63      0.63      0.63       110
   macro avg       0.59      0.57      0.57       110
weighted avg       0.61      0.63      0.61       110

TN: 54
FN: 26
TP: 15
FP: 15
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
2.789426072567293
5.237122358197583
10.341675227451825
10.827190131480487
11.04160016398622
12.23332682656934
15.266809788670717
22.288099791876313
22.91305498516426
24.317520061529322
33.35373823754201
33.79251834200666
35.10458312637732
36.358888753077764
39.94546223479821
40.310679271987645
40.39875603620209
40.502128236694475
41.73603289153607
43.849979673904144
47.258390066598096
47.91917118400776
53.07559554110404
53.34053057756472
56.70913697662273
58.43427266414683
58.691378142468984
60.13847303441201
60.54772604231664
60.63264509272069
60.69231918245616
60.82940171655982
61.13283641231821
61.769022113535506
65.61268462725047
68.31208246020515
68.81247625853558
70.92644194002868
71.64335693616452
74.24686759876727
76.44902494126646
77.01615290759807
77.04343170808896
77.19534800288268
77.21933865679289
77.3800173972324
77.90631558683363
77.94121276485835
79.36138909628714
80.40048499063482
83.99797791084326
84.10649668327262
86.29650013158873
90.26819939796708
90.7732191191285
91.7217244145747
91.74600238898138
91.75284073887923
91.76808119653616
91.80027377730555
92.08645549280254
92.44795724598687
92.93326400458112
93.25619507112204
93.58357021796239
97.64715172795559
98.08675748737362
98.10163590953108
98.76918963281628
98.77893388249737
98.78750704687829
98.86406066394865
98.91398090870251
99.03462989069448
100.46693628813888
101.87803957095913
102.86327943407207
103.92315094277944
104.02268810922126
104.04364224353328
104.07370402368723
104.08661382661698
104.19259626948596
104.61900893630934
106.51691396727972
112.00835322947044
112.33755897111153
112.58611466977854
112.6213147583093
112.67276123904759
113.46504544496001
113.88999735568385
114.58701965598421
115.01476390968661
115.02909733098474
115.49524162167683
118.90458294352834
118.99208912863796
119.96240777903441
120.0171136704966
120.98575705801555
123.96806344001507
124.75812932740901
130.84939006918327
130.8733220953987
133.381275209248
133.79198241041638
133.9960260699921
134.08661010263145
134.12355480979608
134.24858940062578
134.33357585106862
134.6169457255096
134.62675507983036
135.75631037575434
135.7627270175231
137.33066779554287
137.3895676809307
139.6429091357013
141.0399189663171
141.0534341260951
141.28374612770992
141.29189412525056
141.63345234011643
141.69660502314468
141.83319080469127
141.99318952444955
142.32101942037684
142.5444780762667
142.7371655702267
143.23839777584843
144.1657343127956
144.24783880352035
144.37199192968404
144.993562853283
145.6337303404359
147.34500121205164
147.6379516855773
148.77062753003506
150.32337451812518
151.40889522155337
151.60356711927093
151.69529113680466
151.9014669492764
152.17971815250573
152.18585166891307
152.27765175410053
152.34777275098315
152.37092133552616
152.6233030939814
152.63402916560307
153.99283728078956
154.2856398984668
156.86766531854556
157.92622195336924
157.97985968493074
158.15180360850042
158.35742169003018
158.4684142323167
158.60824896552404
159.1263511281947
159.91464928155017
159.96656018980548
160.34086322379517
160.43353498950367
160.60390674601769
160.61051583052202
160.6262134883267
161.24456296064503
163.24351947163012
163.32680106741353
163.55652093096754
164.60952193324218
165.03222600910493
165.32848675393495
165.47892692260166
168.49244730866505
169.38928369498265
171.41453572615285
172.4828195606785
174.58006019096402
175.10878039869053
175.1634677053141
175.29256426910095
176.28913466901997
177.09695754000595
178.6735230359748
179.10626510940492
180.46419721417433
180.52649689285144
180.90386806474137
181.16347115679568
181.18715590012692
181.20662815525372
184.0068503045466
186.0091022479917
187.2576699683419
187.91455442709437
188.0927856268052

Average distances to the kth nearest neighbor within Test set:
67.4857151216896
68.2977937095129
72.23065538893611
104.03706461131468
112.04426716670616
112.74263869532805
113.27749765196052
113.98584836292198
113.99643273014077
114.34810486813028
114.7215212959223
124.45929582610417
124.51866234607961
124.58050763942244
124.59064515232033
126.30576642977579
129.07423331199948
129.10813753178047
129.1106470385756
134.41552779919311
134.76872413795985
142.34665936839465
142.35003437647802
145.25806466611706
145.2627356106971
146.69602770716463
146.70168145531915
149.67744259614398
149.68150581333867
150.2500409946661
150.26719795256645
150.60960813287122
150.62312468961508
150.63189179231063
151.2119114453307
152.89438781596732
153.78470800531937
154.29207839864662
154.32874031559047
154.4682614143634
154.48806544653465
154.49577170382435
154.4982222117893
154.50077788918034
154.50275404481187
154.84028134084897
155.95451419307992
155.95908057277114
156.06424264640572
156.3711258596505
157.3637002910695
167.42656937296312
167.6114301340688
167.6157966345341
167.61873108818247
167.62277782933296
167.62794464378928
167.63379724997787
168.1020886987925
168.10683321172812
168.52171210791258
169.87998130174046
169.93522591322795
169.94346894141114
170.17248207166026
170.1856384531711
171.377190107014
171.38118099455514
171.38359633106404
171.38569733681422
171.3956957884566
171.43983578036045
171.58930584130522
171.67272698545418
171.7827352756863
171.93523239667167
171.93888046216975
171.94392226092796
172.21882123977448
172.5953985682408
173.17638684819048
173.1882833963828
173.19508399028217
173.35607551344037
174.81971002354717
175.38704765612562
176.54353302818555
176.66318711102184
176.840606349077
176.9668558289123
178.24268401744874
178.2497340196529
178.25971487721304
178.91043784326206
178.9785334643805
179.9563552601237
180.02962242894353
180.033317074511
180.03933592640576
180.18663660561057
180.20686735555918
180.2241949700648
180.58143496778456
180.59600621902982
180.6726835964688
181.28498413618928
182.8647363209728
182.8710909557392
183.82072979806557
184.38341935903532
184.38599704184605
184.64155196048887
184.68691151388512
184.69027694518283
184.70233623266242
185.40902914732962
185.42218512473318
185.57892971977122
185.6099475977169
187.37223812700012
187.7081695150798
187.70916986941808
187.71886990817694
187.72813288184037
187.73326952925643
188.03986036180345
188.04599689702204
188.58209822395327
190.99007021189183
190.99616157931771
192.60964358799458
192.614163776909
193.64326456655672
193.83027315331753
194.5925086955675
195.11408130382873
197.40449892520212
197.41339565382685
197.4900283365183
198.07762296442
198.84087892900655
202.20167563381395
203.50590370445164
203.50876359209212
203.8640206811334
204.95932760557997
205.3885422624322
207.26378732240764
208.34676562319626
208.4301433917661
210.71370058136569
211.18983412372452
215.7336959137002
217.0611192687248
218.3102281398241
218.70507872578636
219.14285570447618
219.14678782296693
219.24062958103212
219.24378890018008
219.25211501765017
219.2560559221295
219.26361848081456
219.26720525160312
219.27511977490096
219.70654431227788
220.39999757064766
220.40197346458538
220.65874435258976
220.6610240045559
221.59660522971234
221.59788899707314
221.6005643082248
221.6026198241224
221.73268005500304
223.75403017596477
225.29989155357717
225.31158226584188
225.34909636782646
226.08284145495722
226.15784988488713
226.35088381631934
226.3811233779128
226.87267047425163
227.87590259504827
228.23203189292795
229.64278908363607
230.07491998991986
230.07809084554117
230.29972801784785
231.3908819600108
231.46968955108449
231.47812269087498
231.6859124870514
232.092821310382
233.22804623742564
234.45582770084192
235.59871020758334
236.29732220676348
236.30448875539113

AUC on kNN classifier for k=1 to 100:
0.6039236479321315
0.6447507953340403
0.5989749027925062
0.6207140332272888
0.5047720042417816
0.6230116648992577
0.5977377165075999
0.528808766348533
0.5364086249558148
0.5143160127253447
0.5005302226935313
0.4517497348886532
0.4718981972428421
0.4718981972428421
0.4646518204312478
0.5031813361611878
0.5031813361611878
0.5031813361611878
0.4791445740544362
0.4791445740544362
0.4791445740544362
0.48639095086603046
0.4791445740544362
0.4791445740544362
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.36320254506892896
0.36320254506892896
0.3780487804878049
0.34146341463414637
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.397136797454931
0.397136797454931
0.397136797454931
0.397136797454931
0.3780487804878049
0.3022269353128314
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.4646518204312478
0.45775892541534113
0.45775892541534113
0.4505125486037469
0.4505125486037469
0.4505125486037469
0.4505125486037469
0.3780487804878049
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.40438317426652526
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.4024390243902439
0.3780487804878049
0.45121951219512196
0.45121951219512196
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5909090909090909
auc:0.6244255920820078
mcc:0.24561669283120216
              precision    recall  f1-score   support

       False       0.77      0.49      0.60        69
        True       0.47      0.76      0.58        41

   micro avg       0.59      0.59      0.59       110
   macro avg       0.62      0.62      0.59       110
weighted avg       0.66      0.59      0.59       110

TN: 34
FN: 10
TP: 31
FP: 35

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.7090909090909091
auc:0.6592435489572287
mcc:0.34951579668623955
              precision    recall  f1-score   support

       False       0.73      0.86      0.79        69
        True       0.66      0.46      0.54        41

   micro avg       0.71      0.71      0.71       110
   macro avg       0.69      0.66      0.66       110
weighted avg       0.70      0.71      0.70       110

TN: 59
FN: 22
TP: 19
FP: 10

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

Triangle model saved: KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')
accuracy:0.7909090909090909
auc:0.8036408624955814
mcc:0.5881539487965878
              precision    recall  f1-score   support

       False       0.90      0.75      0.82        69
        True       0.67      0.85      0.75        41

   micro avg       0.79      0.79      0.79       110
   macro avg       0.78      0.80      0.79       110
weighted avg       0.81      0.79      0.79       110

TN: 52
FN: 6
TP: 35
FP: 17

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.4909090909090909
auc:0.4952279957582185
mcc:-0.009235744878881904
              precision    recall  f1-score   support

       False       0.62      0.48      0.54        69
        True       0.37      0.51      0.43        41

   micro avg       0.49      0.49      0.49       110
   macro avg       0.50      0.50      0.48       110
weighted avg       0.53      0.49      0.50       110

TN: 33
FN: 20
TP: 21
FP: 36

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.4727272727272727
auc:0.48073524213503005
mcc:-0.03735931721057674
              precision    recall  f1-score   support

       False       0.61      0.45      0.52        69
        True       0.36      0.51      0.42        41

   micro avg       0.47      0.47      0.47       110
   macro avg       0.48      0.48      0.47       110
weighted avg       0.51      0.47      0.48       110

TN: 31
FN: 20
TP: 21
FP: 38

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.6090909090909091
auc:0.6141746200070697
mcc:0.2208641106503971
              precision    recall  f1-score   support

       False       0.73      0.59      0.66        69
        True       0.48      0.63      0.55        41

   micro avg       0.61      0.61      0.61       110
   macro avg       0.61      0.61      0.60       110
weighted avg       0.64      0.61      0.62       110

TN: 41
FN: 15
TP: 26
FP: 28

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.5727272727272728
auc:0.5802403676210676
mcc:0.15522028828990755
              precision    recall  f1-score   support

       False       0.70      0.55      0.62        69
        True       0.45      0.61      0.52        41

   micro avg       0.57      0.57      0.57       110
   macro avg       0.58      0.58      0.57       110
weighted avg       0.61      0.57      0.58       110

TN: 38
FN: 16
TP: 25
FP: 31
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.6557730681658368
1.0891247307379806
1.496140990935146
1.8382817020986688
2.2589996708614164
2.628778615011199
3.1209424683458
3.614637313406606
4.272528879185275
85.93775708399828
85.9434105852044
85.95234856515451
85.95995605478002
85.97172094946215
85.98612668057704
86.003093592687
86.02639532685869
86.05943853253534
86.10604688346106
116.26657837542207
116.2711799436216
116.27557031479182
116.28341287322657
116.29255618327488
116.30175871705846
116.31434570021337
116.33478047505082
116.35646541120448
116.38912380803998
150.62474278411037
150.62831174615528
150.6327057174639
150.63981518845762
150.64574550007507
150.6533536044852
150.66134267920233
150.67464367885293
150.69402408564815
150.7170636915161
160.0520018120411
160.05516570828797
160.05969237972351
160.0647561133507
160.07071878929347
160.0793880983108
160.08832667819343
160.099952167829
160.1164331313372
160.13851916770872
171.3461348948219
171.34881930510906
171.3529050159162
171.3576555493133
171.36301876109968
171.37051990754293
171.37961977284542
171.39075042203334
171.41069347974403
171.43009846876294
188.97178516064938
188.97434389091356
188.9773051624284
188.9817440172292
188.98863270120341
188.99455738322663
189.00306535030964
189.01412237682766
189.02820979535514
189.0576609207331
198.5936768042991
198.5962986084777
198.59963836383506
198.60402666252963
198.60921325942272
198.61389357913754
198.6216101817944
198.6310753026718
198.64700486332555
198.67204547885842
205.62941682387225
205.63225690255348
205.6357029037871
205.6401069174149
205.64513650347087
205.64900097274682
205.65601330133717
205.66460194444207
205.67778459493513
205.6966003414508
216.15374076022894
216.15609866039497
216.15920576027077
216.16261410248305
216.16776216498013
216.1737850287952
216.18156651795803
216.19170963905333
216.20465642491402
216.22191039191742
230.1989936304451
230.2007885484841
230.2035311841614
230.20746003219628
230.21213430957042
230.21696190990494
230.22435883764783
230.2359632818144
230.24832263230252
230.26215554552977
239.77628178751812
239.77843957839474
239.78120490294432
239.78477552731147
239.7893795277959
239.7944313519261
239.80120970929175
239.8090479088222
239.8202581465557
239.83756532667607
245.71701476402586
245.71926757604288
245.72198767884717
245.72600094965287
245.72915264412097
245.7336769388867
245.74023102398232
245.74899790619182
245.7610973153408
245.77454510844444
252.93878409170586
252.94133230622322
252.9442354688092
252.94782346216397
252.95114156583585
252.9563989719288
252.96181343670472
252.9697094155907
252.97766047488233
252.9914353732577
259.9802884053774
259.9818426475178
259.98410711376977
259.9878037078872
259.9910757846337
259.9949338551861
260.0007262582721
260.00984842121267
260.018024422181
260.02576561506686
268.5906122554522
268.59251454816456
268.5949447292592
268.59791935869845
268.6009629011333
268.60453096400437
268.60897264325763
268.61721311564423
268.6244549453418
268.63604044788934
276.84528628400255
276.84702296011733
276.84891009599653
276.8515572618804
276.85512337433306
276.85815659172357
276.86301904702833
276.8703682312187
276.8767811464353
276.88994386295553
285.0664507795424
285.0680665103964
285.0703069599147
285.0729753976969
285.07562890436685
285.07926959123404
285.08387324814254
285.09318309946576
285.10211778368154
285.11135856477637
300.5847536131564
300.5863866109853
300.5881826678135
300.5907204134252
300.59345041678876
300.59568902545664
300.5999707199307
300.60615287745696
300.6143945569254
300.6264349129453
309.5448000718348
309.5464732685015
309.54859509853054
309.5507980497738
309.5533760432682
309.5568402748526
309.56028340637465
309.56634502179514
309.5755611259164
309.58807786725725

Average distances to the kth nearest neighbor within Test set:
67.39485045556053
67.40401653382533
67.41259682029875
67.4258175230698
67.44567259364948
67.46143044405655
67.48337155264691
67.51075697778947
67.54762990867285
67.60538179892212
109.65448721862045
109.6603437071553
109.67161855180639
109.67843934495414
109.68573710747414
109.69660392828852
109.70992583194298
109.72768934888177
109.75334565853663
109.78509176067354
121.91421914762974
121.91849833130274
121.92518198196478
121.93586202060828
121.94293703773245
121.95477776819581
121.96956995075622
121.98334278403595
122.00807383037605
122.03297639124209
139.25343985146733
139.25730980794603
139.26241876914688
139.269352788025
139.27801220525225
139.28560580113503
139.30101861284444
139.31320797642795
139.33368797070133
139.35804461618326
149.5264982502606
149.53037344760082
149.5367048313515
149.54324778442768
149.55089894598845
149.55790751469578
149.5697939831405
149.58105561710542
149.60543457423103
149.6309684295051
157.7067808643392
157.71228307750928
157.71698822547293
157.72353861736414
157.73001048401318
157.73743313911396
157.74212636219676
157.75298645004463
157.76830092020194
157.7918190688399
168.88491277593587
168.8891714334489
168.8931949799092
168.90008286429315
168.90694623786342
168.91002916514927
168.9160654435264
168.92834208130031
168.94241295104942
168.96833834986063
174.66058730959006
174.66435182996855
174.66850069604217
174.67183498216016
174.67730132739842
174.68525391447736
174.69811536526038
174.70774738453517
174.7216787980763
174.73758997850504
180.41600479045806
180.41899173047798
180.4228870887832
180.4263219074963
180.43305917174465
180.43715552731211
180.44588015689848
180.4566355556596
180.46886390758414
180.48763478494752
184.15113165641384
184.15496966034985
184.16113332867084
184.16711960789698
184.1719234768066
184.178465722642
184.184296959002
184.1938186938713
184.20801888409375
184.2203309708163
197.51511715899883
197.51744433991195
197.52135769063003
197.52806629109944
197.5324586985655
197.53779050626838
197.54578749045024
197.55508969386975
197.57255086030742
197.58436233340475
204.8767928540537
204.87934669598027
204.88277596141583
204.8885649162395
204.89460885961887
204.89813137473956
204.90652945156882
204.91821550477653
204.92431171736447
204.94425982883175
212.657254728348
212.6593471950289
212.66256563845812
212.6681667461333
212.67154885855356
212.67866552333007
212.68604117979453
212.70031936077365
212.71059560898996
212.72227462528144
218.0135065738151
218.01576721545538
218.018631580082
218.02352032415422
218.02776831374004
218.03821356748475
218.0485493550609
218.0638250548113
218.0752321037779
218.08260398781795
222.9136434171505
222.9157053912989
222.91933149506698
222.92250360103552
222.9274513920411
222.93550462887598
222.94021524085736
222.94619987555737
222.95677346724526
222.96717651273275
231.78789045760524
231.79052083857155
231.79407917699567
231.79762721926537
231.8021768110827
231.80691170688164
231.8123034490598
231.8224243957623
231.83660145371044
231.8517805118529
237.361122882085
237.36429472671585
237.36747676827537
237.37145923713211
237.37561212572712
237.37783217188857
237.38354218644082
237.3897733813422
237.39913286393633
237.4147972433693
244.74028633452767
244.7428257969008
244.74579862342506
244.749939825597
244.7545740248569
244.75811659202225
244.76279914595102
244.77253471675473
244.781786987923
244.7940074265286
266.29736768799813
266.29956437962346
266.30248115060095
266.30506500054895
266.3091247346487
266.3125322178412
266.3169748511249
266.32465252529704
266.33549697909837
266.349418963818
277.18655546662023
277.188639361839
277.1905438457523
277.19336734369847
277.1965793888451
277.20120692571066
277.2054744683256
277.2120893110078
277.2218510274109
277.235943621135

AUC on kNN classifier for k=1 to 100:
0.7255213856486391
0.6592435489572287
0.7476139978791092
0.7788971367974549
0.8036408624955814
0.727819017320608
0.706433368681513
0.7347119123365148
0.6912336514669495
0.6325556733828208
0.6618946624248851
0.6859314245316367
0.6329091551785084
0.6687875574407918
0.6470484270060092
0.5860728172499117
0.5982679392011312
0.5860728172499117
0.6104630611523506
0.5689289501590667
0.5738776952986921
0.5616825733474726
0.5860728172499117
0.46412159773771655
0.525097207493814
0.5491339696005655
0.525097207493814
0.5418875927889714
0.5418875927889714
0.5247437256981266
0.5491339696005655
0.536938847649346
0.5273948391657829
0.5030045952633441
0.4957582184517498
0.5102509720749382
0.5422410745846589
0.5178508306822198
0.5326970661010958
0.5494874513962531
0.5060091905266879
0.5349946977730646
0.5205019441498763
0.5712265818310357
0.5933191940615059
0.5712265818310357
0.6200070696359138
0.6200070696359138
0.6325556733828208
0.5247437256981266
0.536938847649346
0.5247437256981266
0.5247437256981266
0.5
0.47101449275362317
0.4855072463768116
0.47101449275362317
0.5
0.5
0.5
0.5
0.5
0.4782608695652174
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.47101449275362317
0.5
0.427536231884058
0.427536231884058
0.427536231884058
0.4420289855072464
0.43478260869565216
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
----- Human feature set:All  num features:83 -----
----- Triangle feature set:All  num features:83 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,-0.1717199333762293,0.31115231424681816,0.009235744878881904,-0.0210801676283718,0.10873881653476042,-0.009972833459831413,0.1611859546704764,
Triangle,0.24561669283120216,0.34951579668623955,0.5881539487965878,-0.009235744878881904,-0.03735931721057674,0.2208641106503971,0.15522028828990755,

Maximum Human MCC:0.31115231424681816
Maximum Triangle MCC:0.5881539487965878

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.43636363636363634,0.6909090909090909,0.509090909090909,0.5272727272727272,0.5,0.509090909090909,0.6272727272727273,
Triangle,0.5909090909090909,0.7090909090909091,0.7909090909090909,0.4909090909090909,0.4727272727272727,0.6090909090909091,0.5727272727272728,

Maximum Human Accuracy:0.6909090909090909
Maximum Triangle Accuracy:0.7909090909090909

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.4121597737716508,0.6447507953340403,0.5047720042417816,0.4895722870272181,0.5519618239660657,0.4948745139625309,0.5742311770943797,
Triangle,0.6244255920820078,0.6592435489572287,0.8036408624955814,0.4952279957582185,0.48073524213503005,0.6141746200070697,0.5802403676210676,

Maximum Human AUC:0.6447507953340403
Maximum Triangle AUC:0.8036408624955814

--- Evaluating models for feature set:ANOVA F-value (top 5) ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.4090909090909091
auc:0.5141392718275009
mcc:0.047563468044289424
              precision    recall  f1-score   support

       False       0.70      0.10      0.18        69
        True       0.38      0.93      0.54        41

   micro avg       0.41      0.41      0.41       110
   macro avg       0.54      0.51      0.36       110
weighted avg       0.58      0.41      0.31       110

TN: 7
FN: 3
TP: 38
FP: 62

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.5545454545454546
auc:0.4469777306468717
mcc:-0.17836300516608533
              precision    recall  f1-score   support

       False       0.60      0.87      0.71        69
        True       0.10      0.02      0.04        41

   micro avg       0.55      0.55      0.55       110
   macro avg       0.35      0.45      0.37       110
weighted avg       0.41      0.55      0.46       110

TN: 60
FN: 40
TP: 1
FP: 9

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.6272727272727273
auc:0.5742311770943797
mcc:0.1611859546704764
              precision    recall  f1-score   support

       False       0.68      0.78      0.72        69
        True       0.50      0.37      0.42        41

   micro avg       0.63      0.63      0.63       110
   macro avg       0.59      0.57      0.57       110
weighted avg       0.61      0.63      0.61       110

TN: 54
FN: 26
TP: 15
FP: 15

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.4090909090909091
auc:0.5141392718275009
mcc:0.047563468044289424
              precision    recall  f1-score   support

       False       0.70      0.10      0.18        69
        True       0.38      0.93      0.54        41

   micro avg       0.41      0.41      0.41       110
   macro avg       0.54      0.51      0.36       110
weighted avg       0.58      0.41      0.31       110

TN: 7
FN: 3
TP: 38
FP: 62

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.4090909090909091
auc:0.4646518204312478
mcc:-0.07675521650975066
              precision    recall  f1-score   support

       False       0.57      0.25      0.34        69
        True       0.35      0.68      0.46        41

   micro avg       0.41      0.41      0.41       110
   macro avg       0.46      0.46      0.40       110
weighted avg       0.49      0.41      0.39       110

TN: 17
FN: 13
TP: 28
FP: 52

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.44545454545454544
auc:0.47879109225874866
mcc:-0.04263691332427269
              precision    recall  f1-score   support

       False       0.60      0.35      0.44        69
        True       0.36      0.61      0.45        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.48      0.48      0.45       110
weighted avg       0.51      0.45      0.44       110

TN: 24
FN: 16
TP: 25
FP: 45

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.3181818181818182
auc:0.3921880523153058
mcc:-0.2703193339730366
              precision    recall  f1-score   support

       False       0.35      0.10      0.16        69
        True       0.31      0.68      0.43        41

   micro avg       0.32      0.32      0.32       110
   macro avg       0.33      0.39      0.29       110
weighted avg       0.34      0.32      0.26       110

TN: 7
FN: 13
TP: 28
FP: 62
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.0990989328241378
0.1788965261973285
0.3404891531861618
0.3456217747031141
0.35132235078595736
0.35420486039503474
0.44153430591095727
0.5325420902565022
0.5556474794619725
0.5964811805189612
0.6968580659932774
0.7219094022754348
0.7751038333621305
0.7790563180382608
0.7790563180382608
0.7808962293564505
0.7808962293564505
0.7808962293564505
0.7808962293564505
0.8821617838437498
0.8821617838437498
0.9717968782859959
1.1785353550319173
1.1933848419711777
1.2508787354487674
1.2968278151651402
1.2998609200425917
1.3031598530051518
1.401394586323348
1.502206285393452
1.5035769891230053
1.5047042268258306
1.6309959226709791
1.6318933676689262
1.6470945271563284
1.8734207253920405
1.8895043646721965
1.890348534544969
1.9469766876697927
2.1091236937273856
2.312493455880238
2.316490485486664
2.337673582078123
2.3895951704651606
2.5254713803049857
2.592372195502315
2.6046076292758973
2.6046076292758973
2.6329891620147463
2.8298004088100024
2.8298004088100024
2.8298004088100024
2.8298004088100024
2.992394578421585
3.024583378921637
3.0275854860194453
3.0316074281323004
3.0350193414999174
3.056529205363534
3.0596225339418686
3.0596225339418686
3.3260682596414286
3.37050766904107
3.482161973008734
3.482161973008734
3.726914843102969
3.772148621563013
3.869636072005579
3.8735459474343235
3.87418661800951
3.8742145407367174
3.874980991659645
3.9155690783086756
3.989763692803397
4.0944642425854365
4.110600802322657
4.137444995331386
4.137641069805357
4.180415089607769
4.211163497333074
4.257249620020161
4.271583027267771
4.284835817506649
4.285292911714465
4.285292911714465
4.287171009685586
4.288493576625446
4.344941917600413
4.3744068496168245
4.3744068496168245
4.395960477446409
4.429691764128215
4.431134216826835
4.433892329497705
4.446731361349319
4.451299016362826
4.453680234453463
4.4577674158132155
4.457794065623835
4.460888974737373
4.466694163070143
4.466703579799701
4.466703579799701
4.466703579799701
4.467164822532048
4.467716155433949
4.4828901582294245
4.5787266424919375
4.622243424081981
4.631585720964507
4.649950226865003
4.660770921781722
4.662407711368932
4.683292550445748
4.706948055996714
4.716195477850064
4.77341831337986
4.845006728562711
4.867016375584411
4.8696361296151105
4.8705219954336005
4.876451202708156
4.877336718722185
4.877336718722185
4.882237017995921
4.886138493917426
4.8861507318822985
4.8861507318822985
4.921804129023387
5.179306883353433
5.179306883353433
5.197765965791664
5.197765965791664
5.197765965791664
5.197765965791664
5.199799681644408
5.207228941009893
5.207556715204933
5.2911941674030185
5.299627152354226
5.3255660635639925
5.416632581303278
5.448896544261469
5.474193246187186
5.476397180870464
5.510005732266164
5.517110846815358
5.540356392944869
5.567326615121519
5.580855512289919
5.590990218922446
5.591011266397548
5.643305459143087
5.6458033575453355
5.653117389946214
5.654403109218405
5.654573725292257
5.654573725292257
5.655305740322949
5.655305740322949
5.658437178445859
5.658893102471312
5.659904204927095
5.660501392903703
5.660501392903703
5.683592586322348
5.685205846862965
5.688719666491289
5.6901849447970285
5.699452235070484
5.699452235070484
5.702062293485392
5.754011440572124
5.755756973558441
5.922274614054593
6.086866289230125
6.095404876770981
6.1493437103247475
6.174168382405053
6.233972483265419
6.262366873836308
6.357265264723032
6.570671992563232
6.691072910620781
6.713855099379081
6.7360332281860975
6.752016518975
6.756009498377162
6.774922179460293
6.798949212068056
6.8027564696355745
6.802789265425614
6.802789265425614
6.8129831696359
7.074635562345964
7.079770538143739
7.199796220060574
7.236706933151409
7.262698187693265

Average distances to the kth nearest neighbor within Test set:
8.889645281024567
11.124411446504011
11.937554412197795
12.13508973224786
12.329812936360367
12.331623622831128
12.345381380042065
12.345381380042065
12.393928675229377
12.418359294732754
12.879384029530947
12.967939328354106
13.292168358414981
14.022727205532961
14.022727205532961
14.326682273064735
14.536800512323587
14.536800512323587
14.536800512323587
14.536800512323587
14.536800512323587
14.536800512323587
14.59182072297601
14.59182072297601
14.59182072297601
14.618067403989416
14.690873977555677
14.690873977555677
14.76291798212863
14.811194357074092
14.815709415465646
14.866576046577082
14.879939764781874
14.929674885239754
14.933625226551866
14.986580498266786
15.056423998738298
15.073342085258993
15.196002653823216
15.508707855593874
15.536646353715717
15.536646353715717
15.547061930385542
15.547061930385542
15.547061930385542
15.547486574784784
16.206071072143274
16.206071072143274
16.206071072143274
16.206071072143274
16.206071072143274
16.206071072143274
16.206071072143274
16.206071072143274
16.206071072143274
16.233407931393707
16.296802861672962
16.970300837363165
17.008057162294406
17.008057162294406
17.032880304111554
17.032880304111554
17.039904013356356
17.039904013356356
17.039904013356356
17.039904013356356
17.039904013356356
17.039904013356356
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.09059227299456
17.12591681471597
17.12591681471597
17.147850677987368
17.16148969406868
17.203934259330843
17.203934259330843
17.203934259330843
17.203934259330843
17.203934259330843
17.203934259330843
17.254879562478482
17.254879562478482
17.254879562478482
17.254879562478482
17.254879562478482
17.254879562478482
17.254879562478482
17.28878995109535
17.359960229514922
17.392595672916304
17.392595672916304
17.466688041789702
17.466688041789702
17.466688041789702
17.466688041789702
17.466688041789702
17.466688041789702
17.466688041789702
17.466688041789702
17.46985422781207
17.492290514958142
17.492290514958142
17.543903024479835
17.56722262099303
17.568799714360306
17.568799714360306
17.568799714360306
17.59888058536322
17.64966548764717
17.684488386767043
17.70312832984822
17.778050198079804
17.84574599648808
18.046641957420956
18.047188717025307
18.2782593300422
18.279755546365884
18.291237366007536
18.29180165546139
18.29180165546139
18.29180165546139
18.29180165546139
18.29180165546139
18.29180165546139
18.29180165546139
18.29180165546139
18.29180165546139
18.301403700265762
18.301403700265762
18.301403700265762
18.301403700265762
18.301403700265762
18.301403700265762
18.321295964613004
18.35978861416758
18.35978861416758
18.366190404155528
18.366190404155528
18.366190404155528
18.401681992667015
18.47176154599036
18.47692653695452
18.50721796112543
18.50721796112543
18.52449386990178
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.57102490959003
18.59083979732272
18.597061309585424
18.76496301042843
18.78061354651062
18.78061354651062
18.809014874121228
18.822672487398233
18.85058058295943
18.85058058295943
18.96763628044823
19.08033164355849
19.08033164355849
19.16347814772004
19.200805781384787
19.356437275541587
19.38222520504759
19.38222520504759
19.38222520504759
19.435020364485172
19.555259605735934
19.568200072766743
19.568200072766743
19.695317645638827
19.723556739407364
19.73666807544817
19.744782573545333
19.753021763318625
19.75378568361048
19.75378568361048
19.75378568361048
19.76492440388176
19.76492440388176
19.91726516000822
20.27724427967708

AUC on kNN classifier for k=1 to 100:
0.48232591021562393
0.4469777306468717
0.4717214563449982
0.4717214563449982
0.5742311770943797
0.5742311770943797
0.5742311770943797
0.5742311770943797
0.5742311770943797
0.5742311770943797
0.5742311770943797
0.5742311770943797
0.6572993990809474
0.6572993990809474
0.5848356309650053
0.5848356309650053
0.5848356309650053
0.5848356309650053
0.4982325910215624
0.5123718628490632
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.5706963591375045
0.5706963591375045
0.5848356309650053
0.5848356309650053
0.5848356309650053
0.5123718628490632
0.5123718628490632
0.5123718628490632
0.5123718628490632
0.5123718628490632
0.5123718628490632
0.5123718628490632
0.5123718628490632
0.5141392718275009
0.5123718628490632
0.5
0.572463768115942
0.572463768115942
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.4982325910215624
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5909090909090909
auc:0.5996818663838813
mcc:0.19282872818393804
              precision    recall  f1-score   support

       False       0.72      0.57      0.63        69
        True       0.46      0.63      0.54        41

   micro avg       0.59      0.59      0.59       110
   macro avg       0.59      0.60      0.59       110
weighted avg       0.63      0.59      0.60       110

TN: 39
FN: 15
TP: 26
FP: 30

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.4909090909090909
auc:0.47543301519971715
mcc:-0.04780082244539884
              precision    recall  f1-score   support

       False       0.61      0.54      0.57        69
        True       0.35      0.41      0.38        41

   micro avg       0.49      0.49      0.49       110
   macro avg       0.48      0.48      0.47       110
weighted avg       0.51      0.49      0.50       110

TN: 37
FN: 24
TP: 17
FP: 32

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.42727272727272725
auc:0.4494521032166844
mcc:-0.09978178146267587
              precision    recall  f1-score   support

       False       0.57      0.36      0.44        69
        True       0.33      0.54      0.41        41

   micro avg       0.43      0.43      0.43       110
   macro avg       0.45      0.45      0.43       110
weighted avg       0.48      0.43      0.43       110

TN: 25
FN: 19
TP: 22
FP: 44

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.4909090909090909
auc:0.5249204665959704
mcc:0.04984093319194061
              precision    recall  f1-score   support

       False       0.66      0.39      0.49        69
        True       0.39      0.66      0.49        41

   micro avg       0.49      0.49      0.49       110
   macro avg       0.52      0.52      0.49       110
weighted avg       0.56      0.49      0.49       110

TN: 27
FN: 14
TP: 27
FP: 42

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.4727272727272727
auc:0.495581477553906
mcc:-0.00869081689047868
              precision    recall  f1-score   support

       False       0.62      0.41      0.49        69
        True       0.37      0.59      0.45        41

   micro avg       0.47      0.47      0.47       110
   macro avg       0.50      0.50      0.47       110
weighted avg       0.53      0.47      0.48       110

TN: 28
FN: 17
TP: 24
FP: 41

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.4636363636363636
auc:0.4982325910215624
mcc:-0.0035530761103560573
              precision    recall  f1-score   support

       False       0.62      0.36      0.46        69
        True       0.37      0.63      0.47        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.50      0.50      0.46       110
weighted avg       0.53      0.46      0.46       110

TN: 25
FN: 15
TP: 26
FP: 44

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.5272727272727272
auc:0.5638034641215977
mcc:0.12760692824319547
              precision    recall  f1-score   support

       False       0.71      0.42      0.53        69
        True       0.42      0.71      0.53        41

   micro avg       0.53      0.53      0.53       110
   macro avg       0.56      0.56      0.53       110
weighted avg       0.60      0.53      0.53       110

TN: 29
FN: 12
TP: 29
FP: 40
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.10377385776114642
0.25959152773270516
0.444866190659953
0.5725047461312027
0.7442967350181758
0.7950674712487186
0.8652627123349543
0.9253405026096185
1.003890572843033
1.0599783549616921
1.0886502712886574
1.1729654737645379
1.2009162747878919
1.2343950131738868
1.2535252602687315
1.2695862329310437
1.3247870091967366
1.3502237968691007
1.3681168886516442
1.3905594496997449
1.4121467646906933
1.4323029054699765
1.4551926770407333
1.4797207779015409
1.50180745464179
1.5142205974609961
1.5271491337473724
1.54539421858953
1.566577442814521
1.5893445308594096
1.6099412055337143
1.628211591092057
1.6483853279141618
1.6606650789681345
1.6871339134083845
1.704891060452005
1.7177790676478684
1.7259266624081813
1.743476697548365
1.7683276259017708
1.791211569555368
1.8012535400420415
1.8192216210794812
1.8400524805128242
1.8571697851268598
1.8740809671313596
1.8852277612692734
1.901663637230612
1.9230960293891457
1.9351345284972261
1.942935108695453
1.9559952449440277
1.9674140436602108
1.9837997037665513
2.000147592177208
2.01186288273739
2.027667243374136
2.0398272408049163
2.0568338528504517
2.0712927151326883
2.0785137310228103
2.0945377087077706
2.1061273233497597
2.1221965383294434
2.1364759574703394
2.1494362051540734
2.1629411788411783
2.176546996324949
2.1882148945169426
2.2000200947904345
2.213420972699646
2.227884367481713
2.2370239246321373
2.2516117353330642
2.263158081864524
2.278996484413141
2.3011325155080993
2.316494863821703
2.3290268328607566
2.3402045316260445
2.3561028198198875
2.368184171735369
2.3912959054107197
2.4081478971234365
2.420404750012354
2.426989414531074
2.4348227883802394
2.4483121812808095
2.4618903017842304
2.4731276668119433
2.4825877819423763
2.497315121706707
2.5120267673805707
2.5231256114267167
2.531156601448852
2.5417166350870546
2.5546106683756333
2.5624384671980946
2.571372095261531
2.5812468728003872
2.5930289792411174
2.6102891431049593
2.61854270405561
2.631992751842212
2.644669653091406
2.6579113619506414
2.6653910704894295
2.6774237791983264
2.684373164923588
2.6953849246956705
2.7087876771304424
2.7148672353681547
2.728327158167649
2.74333024462395
2.7579866461650764
2.7739409682111527
2.788430642763298
2.802908293425237
2.810613826814947
2.8216157607741517
2.8292161262550057
2.8466637212911627
2.857418412893051
2.8670776787319556
2.878621895980952
2.8888671020767953
2.89638308880877
2.9078116855655387
2.9252581028127635
2.9363591222402317
2.9471763340701265
2.952856288317961
2.9594180551463474
2.9671823145826206
2.9752882836092445
2.980852264363843
2.986660545108147
2.9963923822548924
3.00800592128353
3.0210490893326827
3.0311727786273037
3.040382838341798
3.04507136920138
3.056073721277374
3.062899163724957
3.0702233838951
3.077787749885033
3.088985136555331
3.099656321599182
3.1061298084542024
3.118322208221449
3.137696627302369
3.1493380048429134
3.161215481353472
3.172379167024943
3.181366698655585
3.193678621713888
3.2087088471358425
3.219328161387871
3.2310452779649617
3.238177112509819
3.2489749987723666
3.254333534455961
3.260311705589157
3.271789065415135
3.2834101378039735
3.302464991821135
3.3131119118551644
3.3318251380000117
3.3415594983512675
3.356612324089566
3.366834895151695
3.3746436906118396
3.386573104916311
3.3980194078639303
3.4120930284832265
3.4267157476186774
3.4393481229801046
3.4521500988950615
3.466354051004027
3.4739949962306005
3.479235525847862
3.4954177115158487
3.5047101958137037
3.5182653437269478
3.53297312562146
3.5435678507529578
3.5550971243300635
3.5649947648098226
3.574755465137234
3.586650649540706
3.598918234287365
3.614188587848338
3.622505059795663
3.6337964111919034
3.643841551925514
3.652355974830559
3.659592133017987
3.6684245733218823

Average distances to the kth nearest neighbor within Test set:
1.2526053467801999
1.3483917873279474
1.4663378629487938
1.5964956510539123
1.6356196381981425
1.7436899287218968
1.758872574722296
1.7947750159254476
1.8731445844813428
1.9461681632667462
2.1569183475955733
2.190311609466161
2.2245189711725435
2.2372758964077657
2.2691362697871496
2.294220509030343
2.3211992683495586
2.3453637009035915
2.3650084923610817
2.393115925071571
2.415997103111889
2.456306265973901
2.4804127487201866
2.4970643465834423
2.5165887376991485
2.549928299649986
2.5681830024353123
2.583129010228659
2.6021819408904068
2.6229905656765125
2.6415345805587322
2.6628395938009395
2.6859170750658357
2.6946675059199725
2.7064211757526855
2.7252009071333148
2.7402507811914516
2.749650087266457
2.7618788926378066
2.7753849580893672
2.798457320438499
2.8147760940231428
2.8250376091850713
2.8345017827547268
2.8494744107501044
2.8618911786110495
2.8730413804481687
2.895960045706905
2.9122055776822444
2.9272148784917684
2.9521811156799194
2.9558469370601435
2.967626252213812
2.9795444484766094
2.997556199941195
3.011409447565583
3.0199301796433144
3.0347061434010585
3.0443782182914063
3.0736805456357823
3.0835719493516147
3.093974308697533
3.1009699860082454
3.113908642712192
3.1282498339540035
3.1418909468861678
3.15080251089986
3.1606596544760346
3.1746828066368216
3.1842875341271095
3.199227867186516
3.2086786795904034
3.214918393168755
3.225433001485369
3.249123927383411
3.257365784548875
3.2720752823543573
3.284364111339024
3.29570851122434
3.305977760384574
3.32749990075858
3.3385994303339332
3.3536613921317415
3.368782024165656
3.379234218939996
3.390334503646917
3.4018167854748897
3.4170587936344967
3.4267474838035468
3.431498974309158
3.442398971218394
3.4542032370912756
3.4700951744740993
3.4805996770642467
3.487676883811251
3.503865790028953
3.5137016921861908
3.5358947406180756
3.5476354538641424
3.5629589807652042
3.5671267449128523
3.5719664056254623
3.599863789209881
3.6123703520332775
3.6203175173463675
3.6354773404046528
3.6504646397495972
3.6563768241938384
3.6620736786948913
3.669115997282388
3.6816545443874253
3.6877965854305685
3.697496807243883
3.7087584872724633
3.721537341500028
3.7271064902349695
3.7384517663213153
3.7682445992393627
3.7721995500390517
3.7786109535543075
3.792557899918529
3.7981184172797575
3.805612086779005
3.8121542078194457
3.823789103212515
3.8361256714280407
3.8477495659259002
3.8539692397987424
3.8600583164243143
3.8666606707542353
3.872781952626245
3.882243796847875
3.894939916182532
3.9076878815586347
3.921151136553559
3.929072445861945
3.935328823430691
3.9397538101256995
3.9514562294864715
3.9616984376313433
3.9718590304492754
3.979521099070895
3.9950227281435566
4.000930085283997
4.009191449874983
4.019640862810103
4.023526907120696
4.0326281092200045
4.044400050101345
4.05705920731127
4.065310958820354
4.071891778790578
4.078931726806531
4.087208604198468
4.093813685381976
4.101003088044449
4.107543671173031
4.1185993908961
4.130213888165345
4.140489787669561
4.152129554045711
4.158949945264563
4.1693338601594885
4.177776181866108
4.1864379183641205
4.191725711527105
4.203346412622448
4.2147717954369055
4.218426876101395
4.224016038298168
4.231249042685384
4.2423232330934475
4.253307777252897
4.258983312826074
4.272284998661233
4.279915507568799
4.284696271123939
4.300479839876493
4.312429324166344
4.322111178057572
4.339472350923188
4.3567862607776116
4.360841574375612
4.377899234811314
4.3847784378663315
4.392262163808142
4.400888590065911
4.4114018782105395
4.418776632678347
4.429951126165424
4.4397281439593295
4.452201793246958
4.459930057902102
4.470378514116427
4.480692265945539
4.486725714195976
4.499387055089996
4.509877632052773
4.520012987190019
4.529749685679947

AUC on kNN classifier for k=1 to 100:
0.5417108518911277
0.47543301519971715
0.5001767408978437
0.4171085189112761
0.4494521032166844
0.43230823612583946
0.4566984800282786
0.45899611170024746
0.4517497348886532
0.4517497348886532
0.4883351007423118
0.5051254860374691
0.5176740897843761
0.4418522446094026
0.5199717214563451
0.4346058677978084
0.4273594909862142
0.4273594909862142
0.4273594909862142
0.4346058677978084
0.47613997879109227
0.5123718628490632
0.47613997879109227
0.5291622481442206
0.5123718628490632
0.5509013785790032
0.5558501237186285
0.5630965005302228
0.5196182396606575
0.5341109932838459
0.5341109932838459
0.5413573700954402
0.49787910922587486
0.4490986214209968
0.4490986214209968
0.4490986214209968
0.4490986214209968
0.4780841286673736
0.49787910922587486
0.5196182396606575
0.49787910922587486
0.5341109932838459
0.5466595970307531
0.4490986214209968
0.49787910922587486
0.5413573700954402
0.5413573700954402
0.5413573700954402
0.5413573700954402
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5630965005302228
0.5630965005302228
0.5630965005302228
0.5630965005302228
0.5752916224814423
0.5630965005302228
0.5630965005302228
0.5703428773418169
0.5630965005302228
0.5630965005302228
0.5973842347119124
0.6046306115235065
0.6046306115235065
0.5558501237186285
0.5341109932838459
0.5341109932838459
0.5341109932838459
0.5703428773418169
0.5341109932838459
0.5341109932838459
0.5341109932838459
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.5459526334393779
0.5825379992930364
0.5825379992930364
0.5825379992930364
0.5703428773418169
0.5703428773418169
0.5703428773418169
0.582891481088724
0.6118769883351008
0.6118769883351008
0.6118769883351008
----- Human feature set:ANOVA F-value (top 5)  num features:5 -----
----- Triangle feature set:ANOVA F-value (top 5)  num features:5 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.047563468044289424,-0.17836300516608533,0.1611859546704764,0.047563468044289424,-0.07675521650975066,-0.04263691332427269,-0.2703193339730366,
Triangle,0.19282872818393804,-0.04780082244539884,-0.09978178146267587,0.04984093319194061,-0.00869081689047868,-0.0035530761103560573,0.12760692824319547,

Maximum Human MCC:0.1611859546704764
Maximum Triangle MCC:0.19282872818393804

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.4090909090909091,0.5545454545454546,0.6272727272727273,0.4090909090909091,0.4090909090909091,0.44545454545454544,0.3181818181818182,
Triangle,0.5909090909090909,0.4909090909090909,0.42727272727272725,0.4909090909090909,0.4727272727272727,0.4636363636363636,0.5272727272727272,

Maximum Human Accuracy:0.6272727272727273
Maximum Triangle Accuracy:0.5909090909090909

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.5141392718275009,0.4469777306468717,0.5742311770943797,0.5141392718275009,0.4646518204312478,0.47879109225874866,0.3921880523153058,
Triangle,0.5996818663838813,0.47543301519971715,0.4494521032166844,0.5249204665959704,0.495581477553906,0.4982325910215624,0.5638034641215977,

Maximum Human AUC:0.5742311770943797
Maximum Triangle AUC:0.5996818663838813

--- Evaluating models for feature set:ANOVA F-value (top 10) ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.4636363636363636
auc:0.5477200424178155
mcc:0.11964954126675391
              precision    recall  f1-score   support

       False       0.75      0.22      0.34        69
        True       0.40      0.88      0.55        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.57      0.55      0.44       110
weighted avg       0.62      0.46      0.42       110

TN: 15
FN: 5
TP: 36
FP: 54

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.44545454545454544
auc:0.40455991516436907
mcc:-0.1918661099592271
              precision    recall  f1-score   support

       False       0.56      0.57      0.56        69
        True       0.25      0.24      0.25        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.40      0.40      0.40       110
weighted avg       0.44      0.45      0.44       110

TN: 39
FN: 31
TP: 10
FP: 30

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.44545454545454544
auc:0.5035348179568753
mcc:0.007675521650975067
              precision    recall  f1-score   support

       False       0.63      0.28      0.38        69
        True       0.38      0.73      0.50        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.50      0.50      0.44       110
weighted avg       0.54      0.45      0.43       110

TN: 19
FN: 11
TP: 30
FP: 50

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.6272727272727273
auc:0.6979498055850124
mcc:0.4298292124546037
              precision    recall  f1-score   support

       False       0.97      0.42      0.59        69
        True       0.50      0.98      0.66        41

   micro avg       0.63      0.63      0.63       110
   macro avg       0.73      0.70      0.62       110
weighted avg       0.79      0.63      0.61       110

TN: 29
FN: 1
TP: 40
FP: 40

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.5909090909090909
auc:0.5848356309650053
mcc:0.16476468647377598
              precision    recall  f1-score   support

       False       0.70      0.61      0.65        69
        True       0.46      0.56      0.51        41

   micro avg       0.59      0.59      0.59       110
   macro avg       0.58      0.58      0.58       110
weighted avg       0.61      0.59      0.60       110

TN: 42
FN: 18
TP: 23
FP: 27

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.44545454545454544
auc:0.45404736656062217
mcc:-0.08924753850662866
              precision    recall  f1-score   support

       False       0.58      0.42      0.49        69
        True       0.33      0.49      0.40        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.46      0.45      0.44       110
weighted avg       0.49      0.45      0.45       110

TN: 29
FN: 21
TP: 20
FP: 40

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.3181818181818182
auc:0.3921880523153058
mcc:-0.2703193339730366
              precision    recall  f1-score   support

       False       0.35      0.10      0.16        69
        True       0.31      0.68      0.43        41

   micro avg       0.32      0.32      0.32       110
   macro avg       0.33      0.39      0.29       110
weighted avg       0.34      0.32      0.26       110

TN: 7
FN: 13
TP: 28
FP: 62
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.1738490520948144
0.2969608977059873
0.5203604320400572
0.5511903714339985
0.5603482166708393
0.5692446573727818
0.7658256947261557
0.9379707971779542
1.0033204375989453
1.0476771237006752
1.3021951835850016
1.3672644817680668
1.4153786696857853
1.4232495769974527
1.426867635479225
1.4316039625699306
1.4316039625699306
1.4359081449451387
1.4487024940340034
1.592021050280648
1.592021050280648
1.6941231261561522
1.9608542623265799
2.014046034454996
2.328537641780076
2.487029129918277
2.4956964170206772
2.4956964170206772
2.851213454120224
2.912262048896195
2.9196514778365676
2.9196514778365676
3.343408837089353
3.347201009583921
3.359587376644799
3.7755320549420257
3.7755320549420257
3.9233775965754765
3.9233775965754765
4.412905136485902
4.412905136485902
4.5484275718803024
4.574313111474707
4.580302421065821
4.944853642707739
4.945507599740791
5.118687747526059
5.120415920668957
5.142273879784336
5.348002982892444
5.348002982892444
5.382340070863975
5.436673685617381
5.756443114403271
5.773349270397476
5.858137937397247
5.9556276488449065
5.957171037421661
5.9848382429517475
5.987111692325011
5.9887337695403104
6.38550911352186
6.428552559188425
6.780587478729817
6.798997749220599
7.664989342977667
7.786393109471478
7.7992870945068065
7.888506038705477
7.888506038705477
7.913008358731635
7.913008358731635
7.993526517296412
7.993526517296412
8.014734564707508
8.016802443261778
8.067534192104468
8.067534192104468
8.081790612400786
8.081790612400786
8.081790612400786
8.094110263992556
8.094509022843324
8.094509022843324
8.094509022843324
8.105415789381766
8.111857034757962
8.11259323826475
8.188213644465884
8.253584712885184
8.257539557366368
8.257539557366368
8.383897475310679
8.38405797641451
8.38405797641451
8.439587963681737
8.463574991506173
8.475083275144904
8.475083275144904
8.47730687532748
8.484468750154965
8.523524109400793
8.523941291029795
8.610733654564386
8.620111132096184
8.639622755594909
8.676785096311722
8.68292017931991
8.683093465635126
8.690442704858988
8.690921387673153
8.690921387673153
8.690921387673153
8.72086595997234
8.750060808166428
8.813798377888842
8.81395687871356
8.850168903260927
8.850699124479513
8.859936795948588
8.876266984247994
8.972627040654826
10.059777601641628
10.059896592964087
10.063603095927967
10.171931369126389
10.383347727792502
10.384489277733065
10.54695396495048
10.547220864058087
10.549819990924277
10.550297820557537
10.556979039403725
10.557158338806108
10.571707782937672
10.58072118882662
10.58072118882662
10.584569082404926
10.655895368351173
10.872350925114231
11.065459982117492
11.092534273415065
11.138287177278364
11.15307831714415
11.190141367298876
11.205256928409792
11.205256928409792
11.225953322795682
11.228338436738042
11.232695533305273
11.292034925096324
11.612285613076264
11.612285613076264
11.632260842363474
11.967449389798741
12.004691196378433
12.004691196378433
12.011437352778106
12.110765108189911
12.164108090634585
12.1701244710825
12.19594252393531
12.266009423271619
12.820685281223923
12.896103120063065
12.947037580550425
13.196865852004496
13.401341303189298
13.432345031949339
13.613475767778157
13.613475767778157
13.623447313995085
13.624548476567792
13.62479596382745
13.62479596382745
13.647143848773824
13.658472566915956
13.754598294338319
13.754598294338319
13.767391904416728
13.767391904416728
13.767391904416728
13.777323765571026
13.777403465320786
13.826760746528914
13.831487534146396
13.831487534146396
16.34490818473057
16.345188855335635
16.345277046645982
16.467649239023352
16.46768253793437
16.535134191329966
16.53892133177538
16.95736154553936
17.04674389958732
17.33318614685069
17.382067123111316
17.38521213593617

Average distances to the kth nearest neighbor within Test set:
12.328429243895675
16.010673688884946
16.953059804046838
17.264009247582614
17.42843415582576
17.42843415582576
17.42843415582576
17.42843415582576
17.42843415582576
17.42843415582576
17.860228825655522
17.860228825655522
17.860228825655522
17.944093132989334
17.944093132989334
17.944093132989334
18.009161336901258
18.009161336901258
18.009161336901258
18.009161336901258
18.009161336901258
18.009161336901258
18.009161336901258
18.009161336901258
18.009161336901258
18.164724919788885
18.164724919788885
18.183248609207286
18.183248609207286
18.183248609207286
18.183248609207286
18.183248609207286
18.183248609207286
18.183248609207286
18.183248609207286
18.2031295108027
18.365840974061225
18.365840974061225
18.651045256644156
18.707541820725364
18.707541820725364
18.77840827408191
18.77840827408191
18.88574132194584
19.062380203258392
19.10208740535143
19.949656637274483
20.145256324238698
20.145256324238698
20.24015736830837
20.29624033987614
20.297836334964114
20.297836334964114
20.297836334964114
20.297836334964114
20.44767901231863
20.516565698392913
20.676406241635142
20.676406241635142
20.72084767419241
20.72084767419241
20.740932352998463
20.76966763644706
20.76966763644706
21.447033412013678
21.447033412013678
21.793137834547757
21.793137834547757
21.817539359294916
22.17730410892488
22.201369680644603
22.25624262770978
22.257096101669386
22.257096101669386
22.257096101669386
22.31315139963669
22.353323386597086
22.356470690997835
22.356470690997835
22.402332390191003
22.402332390191003
22.402332390191003
22.402332390191003
22.402332390191003
22.402332390191003
22.402332390191003
22.419917221278734
22.551668353641038
22.551668353641038
22.70540292008897
22.764627003061868
22.92927107070952
22.92927107070952
23.00047388603996
23.021627641797895
23.021627641797895
23.083404553475447
23.253622209300975
23.297988598062602
23.297988598062602
23.391269836192045
23.476729843969512
23.536051145096195
23.5395485961385
23.630600179609797
23.633446456153454
23.639321267435765
23.80985733587309
23.938704664262637
23.938704664262637
24.479152889681394
24.496856093491783
24.496856093491783
24.496856093491783
24.496856093491783
24.496856093491783
24.496856093491783
24.496856093491783
24.496856093491783
24.496856093491783
24.554342835172793
24.59963190081499
24.74321825864084
26.39341653808129
26.39341653808129
26.39341653808129
26.52583943601953
26.5338406363742
26.552805936989845
26.552805936989845
26.552805936989845
26.552805936989845
26.55786794858887
26.57187310672839
26.57187310672839
26.58128057319216
26.58128057319216
26.58128057319216
26.58128057319216
26.62121304674721
26.65306624133678
26.65306624133678
26.65306624133678
26.79541988597975
26.79541988597975
26.79541988597975
26.79541988597975
26.79541988597975
26.79541988597975
26.79541988597975
26.827004646120873
26.827004646120873
26.8971588910422
26.8971588910422
26.94070955605547
27.208478380439576
27.220822112634014
27.220822112634014
27.220822112634014
27.3110901476841
27.325719453490827
27.39666207481368
27.446784121086573
27.446784121086573
28.4707088675312
28.55866174068923
28.55866174068923
29.242931825550112
29.483167423377456
29.49764964074947
29.680989251718547
29.68324144773553
29.68324144773553
29.69877267229319
29.700830816932875
29.700830816932875
29.700830816932875
29.75411578308789
29.75411578308789
29.75411578308789
29.75411578308789
29.75411578308789
29.75411578308789
29.78108767130223
29.78108767130223
29.78108767130223
29.795059963811344
29.795059963811344
29.888198411117408
29.97186156504487
29.984859997454787
29.984859997454787
30.01116257739184
30.0151666948383
30.171107889812824
30.207829364592648
30.453964797329597
30.87709831266176
30.967814129803276
30.967814129803276

AUC on kNN classifier for k=1 to 100:
0.45404736656062217
0.40455991516436907
0.40455991516436907
0.40455991516436907
0.5035348179568753
0.40455991516436907
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5512548603746907
0.43107104984093325
0.5035348179568753
0.5035348179568753
0.5035348179568753
0.43107104984093325
0.43107104984093325
0.43107104984093325
0.43107104984093325
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.43107104984093325
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.5
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5636363636363636
auc:0.5779427359490986
mcc:0.15115099898958112
              precision    recall  f1-score   support

       False       0.71      0.52      0.60        69
        True       0.44      0.63      0.52        41

   micro avg       0.56      0.56      0.56       110
   macro avg       0.57      0.58      0.56       110
weighted avg       0.61      0.56      0.57       110

TN: 36
FN: 15
TP: 26
FP: 33

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.4
auc:0.353481795687522
mcc:-0.2961942197274614
              precision    recall  f1-score   support

       False       0.52      0.54      0.53        69
        True       0.18      0.17      0.18        41

   micro avg       0.40      0.40      0.40       110
   macro avg       0.35      0.35      0.35       110
weighted avg       0.39      0.40      0.40       110

TN: 37
FN: 34
TP: 7
FP: 32

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.34545454545454546
auc:0.3149522799575822
mcc:-0.3617520528066641
              precision    recall  f1-score   support

       False       0.48      0.43      0.45        69
        True       0.17      0.20      0.18        41

   micro avg       0.35      0.35      0.35       110
   macro avg       0.32      0.31      0.32       110
weighted avg       0.36      0.35      0.35       110

TN: 30
FN: 33
TP: 8
FP: 39

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.39090909090909093
auc:0.37592788971367974
mcc:-0.2403283306491296
              precision    recall  f1-score   support

       False       0.52      0.43      0.47        69
        True       0.25      0.32      0.28        41

   micro avg       0.39      0.39      0.39       110
   macro avg       0.38      0.38      0.38       110
weighted avg       0.42      0.39      0.40       110

TN: 30
FN: 28
TP: 13
FP: 39

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.5818181818181818
auc:0.6122304701307882
mcc:0.22074674901815847
              precision    recall  f1-score   support

       False       0.76      0.49      0.60        69
        True       0.46      0.73      0.57        41

   micro avg       0.58      0.58      0.58       110
   macro avg       0.61      0.61      0.58       110
weighted avg       0.65      0.58      0.59       110

TN: 34
FN: 11
TP: 30
FP: 35

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.4636363636363636
auc:0.4833863556026865
mcc:-0.03257185381954011
              precision    recall  f1-score   support

       False       0.61      0.41      0.49        69
        True       0.36      0.56      0.44        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.48      0.48      0.46       110
weighted avg       0.52      0.46      0.47       110

TN: 28
FN: 18
TP: 23
FP: 41

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.5181818181818182
auc:0.5763520678685048
mcc:0.16257171326673783
              precision    recall  f1-score   support

       False       0.75      0.35      0.48        69
        True       0.42      0.80      0.55        41

   micro avg       0.52      0.52      0.52       110
   macro avg       0.59      0.58      0.51       110
weighted avg       0.63      0.52      0.50       110

TN: 24
FN: 8
TP: 33
FP: 45
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.20948059497545224
0.45593004912922114
0.792254354546019
1.0445363267832903
1.392292255554942
1.5824110644966054
1.8522983802736737
2.0095339096981037
2.2976298622076166
2.9583812045628686
3.064140362519443
3.2129897424244014
3.3527875361916517
3.4762646599346145
3.552324054888435
3.6797837204820527
3.8474694916943495
3.9834940233462133
4.235677472912865
5.160237683965257
5.214473127086475
5.264380345679182
5.342392809171415
5.441830837584132
5.545426793490188
5.653406206793336
5.777716975553654
5.843952862019878
6.008872476860192
6.837180979370877
6.8882296616191745
6.92098345821581
6.974710770122917
7.034375041254967
7.086642261135679
7.169466462648357
7.20889047653569
7.261680205966564
7.379418421259682
7.579189328273853
7.619079144804895
7.6467665557080275
7.686922643234906
7.745666960532412
7.789498722558062
7.854112585230423
7.93616732416468
8.019892969091533
8.107802407517736
8.801404335522713
8.84588240905886
8.890022457399551
8.929902149262007
8.99008941028713
9.045591590554364
9.094610355784218
9.195572669921301
9.243444608957933
9.364629670649142
10.147563937033174
10.183454451025769
10.213041653159836
10.240929454268688
10.280405239747592
10.32694412853465
10.402173812732673
10.43799874751822
10.499534640521418
10.58421173604001
11.322588700638198
11.34269458336918
11.37416797511411
11.408205131715329
11.455408930562339
11.51646519784573
11.56316752200343
11.60944953716814
11.660795193427445
11.836421000676312
12.732018393760704
12.752220429154034
12.770102105500333
12.800019767992755
12.82957430063455
12.856831655067586
12.895453724553105
12.929379682781907
12.956437794796624
13.036693256358857
13.13296484751619
13.155374334838687
13.187742023070616
13.226860321692266
13.251486097903634
13.265607626184398
13.310329820818296
13.36164913299597
13.429071672152615
13.505861907925329
14.037843055756003
14.062438624999876
14.07342498081498
14.09363944045267
14.127217211190054
14.160279345023715
14.19867617442713
14.243167527345546
14.268772954849608
14.375118827572852
14.993076198800697
15.007897401995372
15.02274530606672
15.035391153933324
15.062159728980546
15.084569771711646
15.112081997536723
15.145602912378482
15.18676742834795
15.308798932377362
16.114512010839714
16.129759214782638
16.142093080775393
16.164608324322412
16.1806544949681
16.22624663865485
16.25053223855796
16.28345730503552
16.307916603197594
16.360410513685242
17.759341250381123
17.777038374183206
17.789735906326854
17.810915130982274
17.84176700392216
17.89371833043334
17.92680876000003
17.95066885012095
17.98702812898217
18.069925025633268
18.31286019469804
18.33829462414488
18.353533122212284
18.367876430546566
18.3870112378379
18.412148491259387
18.434829978615042
18.49677688260074
18.529892447999117
18.57924708701272
18.847278590787344
18.86907902052647
18.885154645674866
18.899849986663092
18.92041342114739
18.96728199035484
18.98806394259923
19.04763450102928
19.070353177729192
19.123863727481226
20.61086518112388
20.62565340938245
20.635117477867464
20.651943805909077
20.66906491329417
20.691663368043844
20.728874853436643
20.754081513333933
20.782024188321436
20.81947993618694
20.92811789081004
20.941038744371834
20.953725270301256
20.97467194416172
20.988370382280642
21.025764863942108
21.049993430149048
21.071176147823092
21.10115268655598
21.15854943062614
22.756977085130565
22.77031221928374
22.781569881801943
22.79476625073715
22.816084046988273
22.84471152352483
22.86198054575191
22.903256657850427
22.924682767768452
22.945059842398297
24.11081904818864
24.12186849929424
24.133294335642372
24.14667120763038
24.169750527328894
24.18398187038067
24.20644964626977
24.234159642565793
24.26498432709207
24.341469935447346

Average distances to the kth nearest neighbor within Test set:
3.978027727139436
4.114710475811215
4.171071848277211
4.264793146352953
4.482971609670992
4.703765345568291
4.797920492240253
4.851185002169218
4.998368321638481
5.284575056674601
5.821638481744061
5.890832954032176
5.976719247689907
6.054906764903129
6.13761970046027
6.2341607445869744
6.359486188171959
6.562173496571926
6.688822042019593
6.81677088365112
7.387979342760305
7.433365731225815
7.4602972480497565
7.521180707752415
7.5806828322750555
7.666686656763715
7.7500466957017045
7.817421975478629
7.8723356957969415
7.987013827288472
8.116917234755341
8.138339010133487
8.162156816189855
8.204913156630472
8.238503756170868
8.276872285622986
8.312250683862983
8.378933239941292
8.444542771080057
8.510952070878828
8.645770557244154
8.668871194136061
8.718516555240608
8.768703480244815
8.807083269611157
8.846726327869433
8.897050840743214
8.992015785837333
9.062886142853653
9.163811776566462
9.425850258644367
9.456890649744393
9.494654538590689
9.535191740293001
9.582216301528483
9.623887595346583
9.68375682245897
9.777662230593975
9.80991775239116
9.8797590622289
10.016338252986847
10.071518423667914
10.089750136191334
10.117216448225912
10.157462628316074
10.213600460738347
10.237768230209667
10.30315375801438
10.349153007100764
10.388325478612922
10.82181298699872
10.848951373716378
10.883938814042814
10.905572262911615
10.948582735381757
11.004331935639442
11.038430182043031
11.120887120168426
11.15115978346449
11.280670786865429
12.896846583594
12.922506644386722
12.944965861109852
12.982567943210764
13.00938232402634
13.028213171144156
13.078071711627937
13.111002764526056
13.150728078841937
13.22018997942161
13.445083798342813
13.461437848253977
13.488690001085036
13.518975126514277
13.532449440870455
13.551291011930292
13.581639107550162
13.602142069346394
13.645642270185302
13.661654800980648
14.256262623283519
14.279883610990257
14.298954618503698
14.3256027941206
14.353536810137197
14.366448818346699
14.406090546194466
14.447354081786811
14.481776264641516
14.525451323043184
14.860944920736186
14.877330583543364
14.908940029740155
14.955899437503128
14.995540992424818
15.023270104605091
15.057460060215764
15.082630859571825
15.118967279404933
15.244075251766976
16.01427927855522
16.025441734143143
16.045198856412362
16.066690094987507
16.09274298207452
16.13538859042908
16.164392597419308
16.189139868186597
16.222189508082206
16.27886248389425
16.640279512522408
16.67055419331003
16.687304928065807
16.707022030543165
16.738453863113335
16.768739656963902
16.80491623831102
16.831230580777333
16.863848896243613
16.909954996819263
17.132993192619367
17.168274922378007
17.180919886040606
17.197748799129883
17.22638908942216
17.26410098095206
17.308423185213417
17.36796928216063
17.396259849331518
17.439443566997443
17.69296659008884
17.722817223767795
17.74661294622417
17.785153915234474
17.822774111752896
17.86428144137647
17.897812829356464
17.952528956501105
17.986129703392976
18.07957335217825
19.458558881269404
19.471859925735703
19.487752829464196
19.498754171774454
19.529021702854095
19.56056375762216
19.58634343562841
19.61311738581556
19.640295770577897
19.680031508484625
19.77310211026147
19.784975224479762
19.812725973016278
19.836837913662595
19.852638413030128
19.89214497666957
19.93424315876099
19.973021089932544
20.006063161565827
20.094153355632287
22.727483057065864
22.738648494747395
22.75688579872523
22.77288856350884
22.787425071953756
22.81339032982072
22.841058658743453
22.86386091530963
22.8919533004962
22.926698087024587
22.98616338405223
23.01337896293421
23.03440694705524
23.0573634520602
23.096863061259935
23.117097105260527
23.150978121065997
23.187761029763404
23.214717053708327
23.32371366822169

AUC on kNN classifier for k=1 to 100:
0.35878402262283493
0.353481795687522
0.3126546482856133
0.3027571580063627
0.3149522799575822
0.35118416401555325
0.3149522799575822
0.3221986567691764
0.2912689996465182
0.28137150936726757
0.36903499469777307
0.36903499469777307
0.40597384234711914
0.4566984800282786
0.4132202191587133
0.4010250972074938
0.39908094733121247
0.4521032166843407
0.4669494521032167
0.4814422057264051
0.4814422057264051
0.44485683987274655
0.44485683987274655
0.5028278543655001
0.5127253446447508
0.5344644750795334
0.5394132202191587
0.5272180982679392
0.5638034641215977
0.5638034641215977
0.5638034641215977
0.5516083421703784
0.5638034641215977
0.5222693531283139
0.5344644750795334
0.5344644750795334
0.5759985860728172
0.5855425945563804
0.5832449628844114
0.6000353481795687
0.5977377165075999
0.6049840933191941
0.5904913396960056
0.5904913396960056
0.5759985860728172
0.5832449628844114
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5832449628844114
0.5759985860728172
0.5219158713326264
0.5146694945210322
0.5219158713326264
0.5219158713326264
0.5219158713326264
0.4929303640862496
0.4929303640862496
0.4929303640862496
0.3904206433368681
0.4513962530929657
0.3904206433368681
0.4026157652880876
0.3904206433368681
0.3686815129020855
0.3904206433368681
0.3904206433368681
0.3904206433368681
0.37592788971367974
0.383174266525274
0.37592788971367974
0.3904206433368681
0.3904206433368681
0.3904206433368681
0.456344998232591
0.3904206433368681
0.5100742311770944
0.4513962530929657
0.47843761046306116
0.43354542241074584
0.4582891481088724
0.4289501590668081
0.4777306468716861
0.5284552845528455
0.5067161541180629
0.5429480381760339
0.5795334040296924
0.5795334040296924
0.5577942735949099
0.5577942735949099
0.5577942735949099
0.5577942735949099
0.5433015199717215
0.5577942735949099
0.528808766348533
0.5577942735949099
0.5360551431601273
0.5360551431601273
0.5360551431601273
0.5360551431601273
----- Human feature set:ANOVA F-value (top 10)  num features:10 -----
----- Triangle feature set:ANOVA F-value (top 10)  num features:10 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.11964954126675391,-0.1918661099592271,0.007675521650975067,0.4298292124546037,0.16476468647377598,-0.08924753850662866,-0.2703193339730366,
Triangle,0.15115099898958112,-0.2961942197274614,-0.3617520528066641,-0.2403283306491296,0.22074674901815847,-0.03257185381954011,0.16257171326673783,

Maximum Human MCC:0.4298292124546037
Maximum Triangle MCC:0.22074674901815847

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.4636363636363636,0.44545454545454544,0.44545454545454544,0.6272727272727273,0.5909090909090909,0.44545454545454544,0.3181818181818182,
Triangle,0.5636363636363636,0.4,0.34545454545454546,0.39090909090909093,0.5818181818181818,0.4636363636363636,0.5181818181818182,

Maximum Human Accuracy:0.6272727272727273
Maximum Triangle Accuracy:0.5818181818181818

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.5477200424178155,0.40455991516436907,0.5035348179568753,0.6979498055850124,0.5848356309650053,0.45404736656062217,0.3921880523153058,
Triangle,0.5779427359490986,0.353481795687522,0.3149522799575822,0.37592788971367974,0.6122304701307882,0.4833863556026865,0.5763520678685048,

Maximum Human AUC:0.6979498055850124
Maximum Triangle AUC:0.6122304701307882

--- Evaluating models for feature set:ANOVA F-value (top 20) ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5909090909090909
auc:0.6343230823612585
mcc:0.2700337843870604
              precision    recall  f1-score   support

       False       0.80      0.46      0.59        69
        True       0.47      0.80      0.59        41

   micro avg       0.59      0.59      0.59       110
   macro avg       0.64      0.63      0.59       110
weighted avg       0.68      0.59      0.59       110

TN: 32
FN: 8
TP: 33
FP: 37

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.6545454545454545
auc:0.6207140332272888
mcc:0.247082472091781
              precision    recall  f1-score   support

       False       0.71      0.75      0.73        69
        True       0.54      0.49      0.51        41

   micro avg       0.65      0.65      0.65       110
   macro avg       0.63      0.62      0.62       110
weighted avg       0.65      0.65      0.65       110

TN: 52
FN: 21
TP: 20
FP: 17

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.5363636363636364
auc:0.5908448214916933
mcc:0.1901079989757376
              precision    recall  f1-score   support

       False       0.76      0.38      0.50        69
        True       0.43      0.80      0.56        41

   micro avg       0.54      0.54      0.54       110
   macro avg       0.60      0.59      0.53       110
weighted avg       0.64      0.54      0.53       110

TN: 26
FN: 8
TP: 33
FP: 43

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.6090909090909091
auc:0.554789678331566
mcc:0.11897058559011353
              precision    recall  f1-score   support

       False       0.66      0.77      0.71        69
        True       0.47      0.34      0.39        41

   micro avg       0.61      0.61      0.61       110
   macro avg       0.56      0.55      0.55       110
weighted avg       0.59      0.61      0.59       110

TN: 53
FN: 27
TP: 14
FP: 16

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.4818181818181818
auc:0.4929303640862496
mcc:-0.013730390539481331
              precision    recall  f1-score   support

       False       0.62      0.45      0.52        69
        True       0.37      0.54      0.44        41

   micro avg       0.48      0.48      0.48       110
   macro avg       0.49      0.49      0.48       110
weighted avg       0.53      0.48      0.49       110

TN: 31
FN: 19
TP: 22
FP: 38

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.4909090909090909
auc:0.4952279957582185
mcc:-0.009235744878881904
              precision    recall  f1-score   support

       False       0.62      0.48      0.54        69
        True       0.37      0.51      0.43        41

   micro avg       0.49      0.49      0.49       110
   macro avg       0.50      0.50      0.48       110
weighted avg       0.53      0.49      0.50       110

TN: 33
FN: 20
TP: 21
FP: 36

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.4090909090909091
auc:0.4646518204312478
mcc:-0.07675521650975066
              precision    recall  f1-score   support

       False       0.57      0.25      0.34        69
        True       0.35      0.68      0.46        41

   micro avg       0.41      0.41      0.41       110
   macro avg       0.46      0.46      0.40       110
weighted avg       0.49      0.41      0.39       110

TN: 17
FN: 13
TP: 28
FP: 52
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
1.0478378739676675
2.129509647730856
5.080500193010149
5.302415679868407
5.41295153851328
5.463187711114268
8.857979366831955
13.073497115233348
14.58954353288092
16.282023457290602
23.60474072473865
24.03645852967258
25.0315051059367
25.33107227349338
25.51278818479987
25.64552688847375
25.889629087686664
25.8928492881539
26.109723070243813
27.85896194011023
30.999259015833953
31.922544907393263
35.20904213148032
35.46289002194881
36.22549893712663
37.15317034719579
37.16928091227174
38.599504856989476
39.48681291967217
41.78637805692695
41.82136912582873
41.82220076153684
41.86892176903837
41.89421367602956
42.014571115139866
43.17408293416457
43.79972463996262
45.50331744621329
46.01634834828718
50.075088142789596
50.452609383293634
50.63180611347299
50.64930105661657
50.77481406378955
50.808397489237144
50.862236517691684
51.39765254339522
51.5506937633625
53.163398810594494
55.46259001999581
59.33935408807466
59.33945803818514
59.35147315929511
59.8491527837999
59.863306036353464
59.89900398812514
59.9142807584124
59.929053648190326
59.931925774280344
59.9350446775757
60.398795882674854
64.02493377187373
64.03833743062633
64.10816157364353
64.20870900690312
66.20398708820173
66.73696810185297
66.73708555547405
67.82562088926436
68.03984291395
68.0398692155512
68.0562678573386
68.10206716322853
68.13380253568164
68.29902238762318
68.67323680600906
68.9542747153076
68.96797921009426
69.22621320503
69.22621395744518
69.36910051628351
69.36911616826094
69.45612655668
69.69180236163623
72.01494186619756
72.86315561919636
74.32174835840298
74.72663884846585
75.1738052866867
75.85626336406858
75.9792076891455
76.36755814197271
76.36759956609441
78.31492622205334
78.62214470340027
79.38912712588295
80.04366476678551
80.043727992059
82.03603466128956
82.03617089134981
83.50696338700682
84.62895552318791
84.75208968903685
84.77329175779238
86.18358767369232
86.18359260625508
86.22016658339201
86.2201667955966
86.22016892415645
86.22208864476406
86.22209765689018
87.53462108102282
88.1183701133682
88.11837059668565
88.11837360505992
91.61240064112692
91.62976615703745
93.20538998242502
93.27325865016685
93.64280983955756
93.76546766835496
94.11975694961656
94.29439445597353
94.4009939607724
95.19914532781385
95.29284825611387
95.50523462425583
95.50523592212996
95.57134585126025
95.57134653560782
95.76401391932232
95.99649417349715
95.99649711626166
96.05739676936763
96.07079008276146
96.0783624747629
96.07836256134111
96.08252353747606
97.64921158120163
98.55712105836692
101.5499593190252
101.64580020112228
101.71124246954275
102.00605649017994
102.26472562813322
102.48936959603944
102.4934263678826
104.51037998030958
105.08504288279363
105.87337224643393
106.03402015399595
106.94315227521128
106.9431543287487
107.10091036000186
107.12123279535821
107.12729268416626
107.16839318673077
107.60990528315513
107.64567788156931
107.6456779691983
107.64809188917881
107.66613208452428
107.73601997956885
107.73602479367821
107.82733431094913
108.14600034689418
108.14705983244448
109.18356400305657
109.19903983338854
109.54444889460984
110.22902028895611
110.22914791596686
110.71599401420794
116.170774618056
117.17127570027078
117.78809510386874
118.18681867127695
118.35069941228598
118.45399314523469
118.45400312409538
118.454004242597
118.45400502679792
118.45402580180354
118.46440643133401
118.9710628339355
121.05326032592198
121.07010755256972
121.9730643041463
123.28025790879
123.28026518421576
123.5700044780851
124.37343999623
124.37485547632173
124.47887423694063
124.6917836627036
124.7429675992312
125.63046270831637
125.63271251044898
128.7460280749693

Average distances to the kth nearest neighbor within Test set:
36.52935464819023
38.17231347048521
42.49989922215866
70.326030165977
70.48129565115708
70.48134283571444
70.48134335746838
70.4813526836517
70.48135327161766
70.4813534379426
73.46144717107822
75.81774069921964
75.81774083543114
75.8177410890674
76.23292117898522
76.86304192875679
76.86304245829038
76.86304249301683
76.86304284423746
79.7470268999917
87.49171289028247
93.09683842161162
93.09684090296325
94.60795889427158
95.1435820950522
95.5705532927974
96.01818894991841
97.35357432901603
97.3535744014583
97.35357442367055
103.01067325028393
103.01067329740505
103.0106735362719
104.23182784752599
104.61968761028827
104.94070438905916
104.94099070456788
105.8442052666409
107.48815858641309
108.44514978023112
109.67657984708003
109.98552612903065
109.9855261572886
109.98552617837456
110.61554427892314
110.76736166674188
110.76736215140573
111.27601993524827
111.27602034105558
116.667590892239
117.5461458819251
125.98245343122292
125.98245344376487
125.98245348572529
126.11175670750647
126.1117715192342
126.11181732938628
126.11181780110651
126.11182292273922
126.1118401365311
126.11184055707764
127.67899145551166
127.92167592761871
128.0637500413715
128.4684164240728
128.62017327377984
128.62022041452332
130.1222595940841
130.26764644614136
131.57523386269133
131.57523427395728
131.57523459303593
131.57523478505527
131.57523715397394
131.57532002726464
131.57532051165794
132.9420365100273
132.94206713438246
132.94207146657146
133.79525728668096
133.88448069518245
134.47083862622313
134.4708406634468
134.54067427720895
134.67620104321912
135.05428106343237
135.13911303836304
135.1391130572599
136.79410468652918
136.79410472851734
137.01004434474117
137.01004443824735
137.01004448443717
137.01004683974287
137.01004774078524
137.01004871481044
137.0100585173728
137.5232314146144
137.52323299497425
138.15914296197528
138.159165586698
139.94057813438275
140.02301516185463
140.92378267810102
141.52652669396966
141.7085151544232
141.70851526018015
141.94094054411812
141.9409419531759
141.94094225687488
141.94094291877937
141.94094954234313
142.19633318269172
142.19633373890395
142.19633806158498
142.82122156072407
142.82122163589952
143.15432362645123
143.26604675187772
143.26604678275365
143.7824571561354
143.81084110617678
143.81084112915127
143.81084113832318
143.81084122740683
143.81084141588272
143.81084192959528
143.81084270388638
143.81085064030214
144.21144625522953
144.21144724375057
144.21975279093303
144.91052693002928
144.91053081742132
145.17488484421438
145.32176703208756
145.32176780472923
145.55437127027102
145.76159425106363
145.76159437974692
145.7737250447033
148.96975955035703
149.38006260835266
149.38007987228795
149.62545450279217
150.1359014620299
150.13630589638723
150.41820899507462
153.08448601682818
153.288676289498
154.12551375633166
154.41218731882603
159.2115381706599
159.2410282724765
160.225426210981
160.59428451850832
161.22285992677672
161.43975729593848
161.4397573106146
161.43975732190378
161.43975733427337
161.43975734428892
161.43975737176902
161.8072876219068
161.80728767291427
161.8708244893626
161.8708245791197
161.87082470092156
161.98209812099
161.9820981664858
161.98269818046217
161.9892606651052
161.98926602106604
162.2400170133751
163.4037935328927
163.77898741123596
165.4489481645861
166.80417288938625
166.86366829805408
167.56230788530317
167.66746306451742
167.66749502125649
167.6680444241564
167.73684878183886
167.73684933893404
167.86850553953442
170.63463849720318
170.6346387214552
172.15301388719652
172.15301410228454
172.1530151910097
172.15305515317758
172.15316718218122
172.94290603952484
173.16554882779226
173.1655488942534
174.08275748789006
177.00470180114638
177.0047019361049
179.3619545725051

AUC on kNN classifier for k=1 to 100:
0.604277129727819
0.6207140332272888
0.5878402262283493
0.5851891127606929
0.5908448214916933
0.5638034641215977
0.5664545775892541
0.5638034641215977
0.5980911983032874
0.6148815835984447
0.6663131848709791
0.6735595616825734
0.6590668080593849
0.6735595616825734
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.586603039943443
0.586603039943443
0.586603039943443
0.586603039943443
0.586603039943443
0.586603039943443
0.586603039943443
0.4646518204312478
0.4646518204312478
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3960763520678685
0.3960763520678685
0.3960763520678685
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.335807705903146
0.3236125839519265
0.38953693884764934
0.38953693884764934
0.38229056203605516
0.3407564510427713
0.38229056203605516
0.3529515729939908
0.3628490632732414
0.3091198303287381
0.3921880523153058
0.3091198303287381
0.3921880523153058
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3750441852244609
0.3750441852244609
0.3750441852244609
0.3750441852244609
0.36779780841286674
0.36779780841286674
0.37999293036408627
0.37999293036408627
0.3921880523153058
0.3921880523153058
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.5141392718275009
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5818181818181818
auc:0.592435489572287
mcc:0.17889979895019392
              precision    recall  f1-score   support

       False       0.72      0.55      0.62        69
        True       0.46      0.63      0.53        41

   micro avg       0.58      0.58      0.58       110
   macro avg       0.59      0.59      0.58       110
weighted avg       0.62      0.58      0.59       110

TN: 38
FN: 15
TP: 26
FP: 31

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.45454545454545453
auc:0.4068575468363379
mcc:-0.1906478225364108
              precision    recall  f1-score   support

       False       0.56      0.59      0.58        69
        True       0.24      0.22      0.23        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.40      0.41      0.40       110
weighted avg       0.44      0.45      0.45       110

TN: 41
FN: 32
TP: 9
FP: 28

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.41818181818181815
auc:0.39271827500883705
mcc:-0.20972635726231625
              precision    recall  f1-score   support

       False       0.54      0.49      0.52        69
        True       0.26      0.29      0.27        41

   micro avg       0.42      0.42      0.42       110
   macro avg       0.40      0.39      0.39       110
weighted avg       0.43      0.42      0.42       110

TN: 34
FN: 29
TP: 12
FP: 35

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.4909090909090909
auc:0.5348179568752209
mcc:0.0712668330923585
              precision    recall  f1-score   support

       False       0.68      0.36      0.47        69
        True       0.40      0.71      0.51        41

   micro avg       0.49      0.49      0.49       110
   macro avg       0.54      0.53      0.49       110
weighted avg       0.57      0.49      0.49       110

TN: 25
FN: 12
TP: 29
FP: 44

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.5181818181818182
auc:0.516967126193001
mcc:0.03282191118024477
              precision    recall  f1-score   support

       False       0.64      0.52      0.58        69
        True       0.39      0.51      0.44        41

   micro avg       0.52      0.52      0.52       110
   macro avg       0.52      0.52      0.51       110
weighted avg       0.55      0.52      0.53       110

TN: 36
FN: 20
TP: 21
FP: 33

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.4909090909090909
auc:0.4952279957582185
mcc:-0.009235744878881904
              precision    recall  f1-score   support

       False       0.62      0.48      0.54        69
        True       0.37      0.51      0.43        41

   micro avg       0.49      0.49      0.49       110
   macro avg       0.50      0.50      0.48       110
weighted avg       0.53      0.49      0.50       110

TN: 33
FN: 20
TP: 21
FP: 36

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.5909090909090909
auc:0.5947331212442559
mcc:0.18325567075636665
              precision    recall  f1-score   support

       False       0.71      0.58      0.64        69
        True       0.46      0.61      0.53        41

   micro avg       0.59      0.59      0.59       110
   macro avg       0.59      0.59      0.58       110
weighted avg       0.62      0.59      0.60       110

TN: 40
FN: 16
TP: 25
FP: 29
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.26194622910485893
0.6271520847406564
1.0585385980341937
1.3411965133802177
1.6962561598867614
1.9351424476676489
2.1863199587176174
2.3849956464154154
2.7397695547839716
3.8498934219839187
3.9404803259985863
4.060178538054729
4.1604356981944575
4.283942348024383
4.393557089253444
4.498630477050168
4.6611595008395605
4.8141286576389115
5.070455860424516
6.658350526912007
6.709458878671854
6.7575983765261105
6.825746077868906
6.901846224474649
6.982489399738838
7.058059588415728
7.181897537795598
7.272522473994334
7.368475000242632
8.316688080492693
8.369477464871158
8.408704469961316
8.464008094735489
8.534458335392106
8.595012047598148
8.655766673022816
8.714744080820221
8.806860399840968
8.960058524718207
9.579131116272032
9.610090280241458
9.645358715199542
9.695134260288754
9.744434092102946
9.781148403970525
9.826681480911576
9.91107615318656
9.973815789910217
10.107731090896317
11.032870493545653
11.062454678661663
11.100381818293924
11.137523623072198
11.178548145238912
11.22535470405907
11.275068204280263
11.320804283082932
11.397830822677625
11.493843482021072
12.00411884183963
12.028662859567843
12.062975282140572
12.104183635256579
12.139915194845978
12.204604704278946
12.280341853640367
12.373602736196139
12.482760551177943
12.6060470653827
14.054503707904406
14.072208012080335
14.094213625488536
14.114356367875112
14.160784894676965
14.200173500970429
14.256987317678421
14.308111100435472
14.359427985425645
14.455862468651707
14.946636495462098
14.970061387157536
14.99626304207301
15.025034098356812
15.04698999094695
15.075289384255477
15.112486333213074
15.172200904389092
15.226035557836909
15.320414639616216
15.820822778969365
15.83916897776789
15.866035594439005
15.899403051612348
15.924617649123839
15.95148612687359
15.977815661973745
16.034658122024496
16.08493089607691
16.239432744762887
16.626913559724763
16.639638497846285
16.65887070802991
16.68001083396553
16.708680482560077
16.737408809449178
16.75903823742914
16.793961482324644
16.834910889189846
16.883398869741114
17.25725076184597
17.273840146675656
17.289158286714162
17.30974561389941
17.338189408107798
17.36119596368006
17.388234231329776
17.418685328648543
17.44759368072568
17.505301716985517
18.02398452235035
18.039419861278034
18.053909302272892
18.075820320311767
18.09918182504188
18.121841848275423
18.147545810921198
18.18739697920552
18.235754902715872
18.29743830192119
19.476999753634647
19.493939666093567
19.50913604509993
19.53353166439309
19.559005493196878
19.58929738557954
19.607823952604132
19.626097991961977
19.673853737212955
19.73916575996735
20.343067447083012
20.354980484837544
20.371634867532578
20.38407896607155
20.40820788889207
20.426733308429167
20.453338585558335
20.496336005411198
20.545499515138598
20.626895755212033
20.8803021345455
20.897250732327546
20.91684041997737
20.946241754612796
20.96289077767999
20.99597293416086
21.01507594541664
21.049798495422117
21.113656568724448
21.17209381124343
22.32816014180219
22.345299061577748
22.3556879263675
22.374994251157624
22.396524243921846
22.42670542255929
22.45518798953474
22.48902539546541
22.52545158462602
22.592658359628622
23.41199114262449
23.425218675917463
23.444054427802428
23.45443532099739
23.4802666537611
23.517379170752868
23.53979666931416
23.584008992216738
23.629925296842487
23.702276169577956
24.466512610250803
24.483197799568416
24.49295183801908
24.50719033019878
24.525525203231215
24.557702908955832
24.5781479916902
24.610912759463414
24.64648831809409
24.714383066736808
25.842836039844155
25.853618185287985
25.864810373664124
25.884535766438578
25.90616867901264
25.9219670580749
25.950946580488512
25.995948994874507
26.021439423193367
26.075271337493728

Average distances to the kth nearest neighbor within Test set:
5.340665154727755
5.440698101310475
5.471781518365558
5.551534438742864
5.716075181157264
5.917339025747366
6.017220442384515
6.095786717553316
6.21864397978334
6.569573285131939
7.411539186431437
7.465023097832236
7.5198285580838515
7.580753403431838
7.66917484773936
7.736881477215956
7.797443286216155
7.952507717723068
8.060016827316364
8.157828970609666
8.714901709135486
8.733949625373318
8.76120273056971
8.804331643408872
8.85372428261091
8.934955771429339
8.984736249987257
9.092616235741094
9.164225441295928
9.229472467847987
9.479840225887376
9.505677363410937
9.546749980940682
9.600978594321267
9.683341083046315
9.723241851589654
9.78835408338757
9.903370841219822
10.025589395527945
10.192867556563915
10.7583488203249
10.784389433318466
10.799162900740683
10.847604619622343
10.909515690416383
10.951002922809886
10.995034673579617
11.103018752354398
11.203911501751088
11.363165517098832
11.99447838075788
12.020942646977863
12.06485630928614
12.120401406054922
12.15945274684395
12.210868923044796
12.263810528111474
12.31331675271851
12.387386233472483
12.4564036466071
12.752975594662962
12.771905438492432
12.802688534735703
12.842452595467606
12.895574863751968
12.944843835657553
13.016575318321635
13.091222943172804
13.163455857963031
13.316796495537298
14.572421741362545
14.594057959246314
14.625224994406075
14.66505548249659
14.705052153953782
14.730104216810762
14.789207623515958
14.834029578345271
14.878336444657196
14.988516662122588
15.424977853598246
15.452434407534398
15.479577546299875
15.50062273433319
15.547198837891537
15.563465651319408
15.598176111931858
15.633218906577802
15.714106662565486
15.807995387477197
16.743842142896845
16.77034532284129
16.800528323108296
16.839319162980715
16.865082816053803
16.89517648049487
16.91260889983156
16.953912505565004
17.021422329978876
17.09637032508822
17.60924369789615
17.6177890979176
17.6400777062105
17.665522193535903
17.704179597644117
17.73940332806321
17.75947157368735
17.79556311076295
17.840835616763965
17.889698499837216
18.17957605002624
18.194314593694667
18.204948719273126
18.217838010724055
18.240863327306243
18.26594025352092
18.302688768737546
18.339196129349155
18.366097663762766
18.435143056871052
18.729877359919698
18.7481271649645
18.761085149742453
18.790186161159863
18.819619114437398
18.845125769763165
18.871833370967927
18.906011732278834
18.936907476192957
19.000781995840573
19.265717791839016
19.286245443190936
19.309382287743603
19.326952443396316
19.353972735289595
19.37981816287084
19.420020302321948
19.450555534068414
19.502339833848882
19.543994458349612
19.840926222936627
19.853746906001163
19.87499559039053
19.91592278074454
19.940749990924
19.963509705506432
19.99960176447588
20.0506937244021
20.092743799373018
20.138998806113424
20.652537538020226
20.667784088328677
20.679269663186712
20.713705055065773
20.733045331572164
20.762366078827807
20.78083869459484
20.82324578644443
20.854765016610262
20.936050480267493
21.774746680808896
21.799922994294835
21.817691305772332
21.83137889799228
21.847100427874135
21.874549566957633
21.91131191090453
21.9497888691336
21.978915325579667
22.053240142494282
22.799426813775714
22.810804259989244
22.83308700031515
22.852915734674127
22.873785375069197
22.98002069424683
23.005926872592436
23.03564932174753
23.109617986369425
23.170938290261272
24.66699984101669
24.683116551638044
24.703411346719168
24.722509471948385
24.735178784751735
24.757601843762192
24.785315777938354
24.817614584545883
24.855077104692324
24.900858851701823
25.00734944470444
25.025097163907116
25.043133298089828
25.061087285926536
25.095748791633095
25.116083618022532
25.13815109920762
25.2042858223564
25.233295607667852
25.314860498071504

AUC on kNN classifier for k=1 to 100:
0.47278190173206075
0.4068575468363379
0.39501590668080594
0.34623541887592785
0.39271827500883705
0.4217037822552139
0.3854718981972428
0.4217037822552139
0.3762813715093673
0.35913750441852244
0.3884764934605868
0.3835277483209615
0.40827147401908803
0.4517497348886532
0.4010250972074938
0.4010250972074938
0.42541534110993284
0.4155178508306822
0.4376104630611523
0.46659597030752914
0.48639095086603046
0.5008837044892188
0.5008837044892188
0.5588547189819725
0.5588547189819725
0.5733474726051608
0.5904913396960056
0.5904913396960056
0.5759985860728172
0.5832449628844114
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5638034641215977
0.5759985860728172
0.5759985860728172
0.5759985860728172
0.5638034641215977
0.5638034641215977
0.5638034641215977
0.5638034641215977
0.4948745139625309
0.4948745139625309
0.4338989042064334
0.4338989042064334
0.4338989042064334
0.4266525273948391
0.4266525273948391
0.5219158713326264
0.5291622481442206
0.5268646164722517
0.4338989042064334
0.4582891481088724
0.40455991516436907
0.46553552492046657
0.4167550371155886
0.4167550371155886
0.4892188052315306
0.45298692117355954
0.4770236832803111
0.4770236832803111
0.4770236832803111
0.4770236832803111
0.4770236832803111
0.4770236832803111
0.4770236832803111
0.4770236832803111
0.4770236832803111
0.5383527748320961
0.44803817603393425
0.4701307882644044
0.5136090491339697
0.5795334040296924
0.4770236832803111
0.5284552845528455
0.46747967479674807
0.49186991869918706
0.49151643690349944
0.5159066808059385
0.5109579356663132
0.5719335454224107
0.4987628137150937
0.5719335454224107
0.5010604453870626
0.5307529162248144
0.5185577942735949
0.5551431601272534
0.5063626723223754
0.5307529162248144
0.5307529162248144
0.5307529162248144
0.5669848002827854
0.6085189112760693
0.6108165429480381
----- Human feature set:ANOVA F-value (top 20)  num features:20 -----
----- Triangle feature set:ANOVA F-value (top 20)  num features:20 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.2700337843870604,0.247082472091781,0.1901079989757376,0.11897058559011353,-0.013730390539481331,-0.009235744878881904,-0.07675521650975066,
Triangle,0.17889979895019392,-0.1906478225364108,-0.20972635726231625,0.0712668330923585,0.03282191118024477,-0.009235744878881904,0.18325567075636665,

Maximum Human MCC:0.2700337843870604
Maximum Triangle MCC:0.18325567075636665

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.5909090909090909,0.6545454545454545,0.5363636363636364,0.6090909090909091,0.4818181818181818,0.4909090909090909,0.4090909090909091,
Triangle,0.5818181818181818,0.45454545454545453,0.41818181818181815,0.4909090909090909,0.5181818181818182,0.4909090909090909,0.5909090909090909,

Maximum Human Accuracy:0.6545454545454545
Maximum Triangle Accuracy:0.5909090909090909

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.6343230823612585,0.6207140332272888,0.5908448214916933,0.554789678331566,0.4929303640862496,0.4952279957582185,0.4646518204312478,
Triangle,0.592435489572287,0.4068575468363379,0.39271827500883705,0.5348179568752209,0.516967126193001,0.4952279957582185,0.5947331212442559,

Maximum Human AUC:0.6343230823612585
Maximum Triangle AUC:0.5947331212442559

--- Evaluating models for feature set:Mutual Info Score (top 5) ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.2818181818181818
auc:0.3780487804878049
mcc:-0.4102349118819963
              precision    recall  f1-score   support

       False       0.00      0.00      0.00        69
        True       0.31      0.76      0.44        41

   micro avg       0.28      0.28      0.28       110
   macro avg       0.15      0.38      0.22       110
weighted avg       0.12      0.28      0.16       110

TN: 0
FN: 10
TP: 31
FP: 69

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.6090909090909091
auc:0.5795334040296924
mcc:0.1598884249660226
              precision    recall  f1-score   support

       False       0.69      0.70      0.69        69
        True       0.47      0.46      0.47        41

   micro avg       0.61      0.61      0.61       110
   macro avg       0.58      0.58      0.58       110
weighted avg       0.61      0.61      0.61       110

TN: 48
FN: 22
TP: 19
FP: 21

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.5181818181818182
auc:0.5070696359137504
mcc:0.013730390539481331
              precision    recall  f1-score   support

       False       0.63      0.55      0.59        69
        True       0.38      0.46      0.42        41

   micro avg       0.52      0.52      0.52       110
   macro avg       0.51      0.51      0.50       110
weighted avg       0.54      0.52      0.53       110

TN: 38
FN: 22
TP: 19
FP: 31

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.4636363636363636
auc:0.4982325910215624
mcc:-0.0035530761103560573
              precision    recall  f1-score   support

       False       0.62      0.36      0.46        69
        True       0.37      0.63      0.47        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.50      0.50      0.46       110
weighted avg       0.53      0.46      0.46       110

TN: 25
FN: 15
TP: 26
FP: 44

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.37272727272727274
auc:0.35153764581124075
mcc:-0.288338201329108
              precision    recall  f1-score   support

       False       0.50      0.43      0.47        69
        True       0.22      0.27      0.24        41

   micro avg       0.37      0.37      0.37       110
   macro avg       0.36      0.35      0.35       110
weighted avg       0.40      0.37      0.38       110

TN: 30
FN: 30
TP: 11
FP: 39

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.5363636363636364
auc:0.5265111346765642
mcc:0.05148896452305499
              precision    recall  f1-score   support

       False       0.65      0.57      0.60        69
        True       0.40      0.49      0.44        41

   micro avg       0.54      0.54      0.54       110
   macro avg       0.53      0.53      0.52       110
weighted avg       0.56      0.54      0.54       110

TN: 39
FN: 21
TP: 20
FP: 30

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.35454545454545455
auc:0.43107104984093325
mcc:-0.172827115163089
              precision    recall  f1-score   support

       False       0.45      0.13      0.20        69
        True       0.33      0.73      0.46        41

   micro avg       0.35      0.35      0.35       110
   macro avg       0.39      0.43      0.33       110
weighted avg       0.41      0.35      0.30       110

TN: 9
FN: 11
TP: 30
FP: 60
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.5371759884861991
1.3356349045708886
3.5170905352455604
3.987323218766763
4.015381307074754
4.126383845126892
5.289829740364975
6.950485584940426
6.9867954394757605
7.1577206716182555
9.829392162233809
9.84033493060955
10.55508817936477
10.811058845519916
10.896763902525565
11.076030610552298
11.076030610552298
11.076030610552298
11.20493399490286
11.867704955847195
12.03121173842377
12.896224295635525
15.777396823996702
15.777396823996702
16.235712758894547
16.25144782556582
16.39665508321515
16.55098283727206
17.047889686819154
17.088708174774666
17.088708174774666
17.088708174774666
17.09596492153552
17.321619837850218
17.46564298431998
18.431956156632257
18.559484370773205
18.722395318149044
20.000432937737298
21.445324911032575
22.86069704909245
22.87376225186251
22.931447917240245
23.07137767402461
23.105429478643583
23.28701820113383
23.563781503926275
23.672443510557958
23.678688451294978
26.091604749046166
26.981024008934757
27.039759435409596
27.039759435409596
29.864936187636992
29.964796416112453
30.177809535520726
30.92799566114838
30.93699272705217
30.96709811444143
31.026433271077735
31.026433271077735
31.6722195791597
31.699687570855293
31.72469392057288
31.75159605356469
34.78693706224363
34.801517851680146
35.76291156462191
35.79744399211931
35.90116189246313
35.95595113075212
36.035799937877336
36.28030271805504
36.369588223086254
36.543403078061864
36.55331475264354
36.71324788544186
36.81107955961179
36.85647763073
36.949505188290814
37.02143787439813
37.02608383746521
37.04542408570658
39.750190308471
40.30115897010258
41.65710859000497
41.70223643526558
41.82147754818571
41.86939655578126
41.91967745216727
43.05820221527982
43.120876716229
43.46464806400039
43.49665766816565
43.51319726233654
45.96322821698662
45.983169516524306
46.06617915280482
46.09717278189463
46.71573166690646
47.64717712267846
47.98965702976615
48.15774318789934
49.516118247752715
50.872104236267546
53.897522926908266
56.41657536411917
56.435837748734464
57.31858991042927
57.42390168504621
57.42390168504621
57.473464867795435
57.49124468940205
57.55323178115463
57.75097409972401
57.81722961435862
57.859445085254634
57.88164441626187
57.89286905042966
60.713656842941724
60.72480636099164
60.73802144732723
60.745054447181914
60.745054447181914
60.8597816568049
60.8597816568049
60.86943721166267
60.92123032907363
60.94812708059931
60.99033444530653
60.99162969765352
60.99162969765352
60.99162969765352
61.056935327587
61.544370614727825
61.830838622021794
62.06243765281073
62.136622072626885
62.46641408314318
63.50450593058907
63.645935338410766
63.646418743664995
63.717309441476644
63.73673481171775
63.911905057041416
63.911905057041416
63.911905057041416
63.93185710274244
63.94664955998523
64.14174103484108
64.3984520704098
64.59263208514241
64.60053897697874
64.79613440607336
65.03524868313824
65.04113057133584
66.63660622162321
66.64956807313285
67.27207257219169
67.66921501788454
67.66944817846746
67.70063279264595
69.1986237779853
69.90999937354101
69.97959327278227
69.97959327278227
70.04486295637739
70.0604818995216
70.17330607020958
70.45031340928257
71.14367635503451
71.18286282720136
71.18695101854622
71.18961012199281
71.20965161119737
71.21509775547891
71.25156693786448
71.90983567420871
72.05747594127084
72.6112446551585
72.70426607596937
72.92200966744066
73.12937892269724
73.16868825180998
73.38500445913307
73.40751302767522
73.46239412834596
73.46239412834596
73.46239412834596
73.46239412834596
73.46239412834596
73.47213939015859
73.72288234973574
73.98308641840309
74.67074101526893
75.16485060123706
75.50956686679928
75.88060523946702
76.49097395089436

Average distances to the kth nearest neighbor within Test set:
24.34310846904777
25.928349925801506
26.83460277608854
34.26677184626812
40.52636522309523
41.0520971965822
44.85421596059426
44.85421596059426
45.76464642574676
46.52798672582747
47.333835836667525
47.333835836667525
47.35317663623205
47.35317663623205
47.366002961254296
47.366002961254296
47.366002961254296
47.366002961254296
47.366002961254296
47.366002961254296
47.927108653799216
49.007962005242064
49.08846671811662
49.27960473352178
49.6989427208148
50.22601731570974
50.69795315905039
50.69795315905039
50.69795315905039
50.808596378452584
50.808596378452584
50.808596378452584
50.808596378452584
50.808596378452584
50.98353806839188
51.42832505523512
51.476694268097404
51.95315243571393
52.1320448056283
52.343398962686486
52.343398962686486
52.343398962686486
52.6177665837907
52.6177665837907
52.6177665837907
52.6177665837907
52.6177665837907
52.6177665837907
52.6177665837907
53.10281197534653
53.836170649507714
53.836170649507714
53.836170649507714
54.14751443609262
55.43567063854686
55.580356073243735
55.580356073243735
55.962972845352034
55.962972845352034
55.962972845352034
56.09237467747371
56.09237467747371
56.09237467747371
56.09237467747371
56.09237467747371
56.09237467747371
58.075022954900255
59.10831406473222
59.854814328230866
59.854814328230866
59.854814328230866
60.05250343954367
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
60.41375279729945
61.02630780294116
61.22458831572199
61.22458831572199
61.22458831572199
61.62147513944149
62.88564168872135
63.32322038590458
63.32322038590458
63.83816019105932
63.83816019105932
64.46543108064223
64.46543108064223
64.46543108064223
64.46543108064223
64.46543108064223
65.67037424117316
66.35774467612293
66.35774467612293
67.70312904451885
67.70312904451885
68.32396888116507
69.16119587612975
69.16119587612975
69.23960301542535
69.7748910141561
69.9322213195496
70.0143540694467
70.0143540694467
70.97143656657734
70.97143656657734
71.05405833921994
72.1629836518559
73.2262075377276
74.21189228419237
74.26229354095803
74.26229354095803
75.48235859658038
75.62174341878573
75.77185108725678
75.77185108725678
75.77185108725678
75.77185108725678
75.77185108725678
75.77185108725678
75.77185108725678
75.77185108725678
75.77185108725678
76.6258969296587
76.6258969296587
76.6258969296587
76.6258969296587
76.68915202803447
76.68915202803447
76.68915202803447
77.49308631744852
79.27811177137102
80.22618471218951
80.22618471218951
80.58645434702943
82.08510988844537
82.55895819031387
82.55895819031387
82.6712015385022
82.6712015385022
82.6712015385022
82.71987089916884
82.81686706553802
82.81686706553802
82.92551778674802
83.00683806364498
83.00683806364498
83.00683806364498
83.17749583777214
83.53038858184189
83.84010097403987
84.23318295711528
84.31162669256791
84.31162669256791
84.31162669256791
84.31162669256791
84.31162669256791
84.36521699802331
84.78879387136044
85.3763568883107
86.02160365667882
86.80054687211778
86.80054687211778
86.80054687211778
87.74615578784991
88.43419366591182
88.43419366591182
88.43419366591182
88.43419366591182
88.43419366591182
88.5876435150669
88.5876435150669
89.4899374370792
90.21778186312906
90.70423715423465
90.70423715423465
91.06501668670896
91.34269847414414
91.43962180362784
92.00158610467244
92.49463551729278
92.74339182596222
92.74339182596222
93.20603483969022
93.58069530657403
93.62621181294463
93.62621181294463
93.62621181294463
95.98196779411145
95.98196779411145

AUC on kNN classifier for k=1 to 100:
0.5795334040296924
0.5795334040296924
0.5070696359137504
0.5070696359137504
0.5070696359137504
0.5070696359137504
0.5070696359137504
0.5070696359137504
0.45404736656062217
0.45404736656062217
0.45404736656062217
0.45404736656062217
0.5371155885471899
0.5371155885471899
0.6590668080593849
0.5371155885471899
0.4646518204312478
0.4646518204312478
0.4505125486037469
0.4505125486037469
0.4505125486037469
0.4505125486037469
0.572463768115942
0.572463768115942
0.572463768115942
0.572463768115942
0.572463768115942
0.572463768115942
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.46995404736656066
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
0.3974902792506186
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5181818181818182
auc:0.48232591021562393
mcc:-0.03553076110356058
              precision    recall  f1-score   support

       False       0.61      0.62      0.62        69
        True       0.35      0.34      0.35        41

   micro avg       0.52      0.52      0.52       110
   macro avg       0.48      0.48      0.48       110
weighted avg       0.52      0.52      0.52       110

TN: 43
FN: 27
TP: 14
FP: 26

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.5545454545454546
auc:0.4469777306468717
mcc:-0.17836300516608533
              precision    recall  f1-score   support

       False       0.60      0.87      0.71        69
        True       0.10      0.02      0.04        41

   micro avg       0.55      0.55      0.55       110
   macro avg       0.35      0.45      0.37       110
weighted avg       0.41      0.55      0.46       110

TN: 60
FN: 40
TP: 1
FP: 9

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.4636363636363636
auc:0.37451396253092967
mcc:-0.3146339788866492
              precision    recall  f1-score   support

       False       0.56      0.72      0.63        69
        True       0.05      0.02      0.03        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.30      0.37      0.33       110
weighted avg       0.37      0.46      0.41       110

TN: 50
FN: 40
TP: 1
FP: 19

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.37272727272727274
auc:0.47525627430187345
mcc:-0.0832360690775065
              precision    recall  f1-score   support

       False       0.50      0.07      0.13        69
        True       0.36      0.88      0.51        41

   micro avg       0.37      0.37      0.37       110
   macro avg       0.43      0.48      0.32       110
weighted avg       0.45      0.37      0.27       110

TN: 5
FN: 5
TP: 36
FP: 64

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.44545454545454544
auc:0.47879109225874866
mcc:-0.04263691332427269
              precision    recall  f1-score   support

       False       0.60      0.35      0.44        69
        True       0.36      0.61      0.45        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.48      0.48      0.45       110
weighted avg       0.51      0.45      0.44       110

TN: 24
FN: 16
TP: 25
FP: 45

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.44545454545454544
auc:0.47879109225874866
mcc:-0.04263691332427269
              precision    recall  f1-score   support

       False       0.60      0.35      0.44        69
        True       0.36      0.61      0.45        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.48      0.48      0.45       110
weighted avg       0.51      0.45      0.44       110

TN: 24
FN: 16
TP: 25
FP: 45

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.6090909090909091
auc:0.604277129727819
mcc:0.20252326045734964
              precision    recall  f1-score   support

       False       0.72      0.62      0.67        69
        True       0.48      0.59      0.53        41

   micro avg       0.61      0.61      0.61       110
   macro avg       0.60      0.60      0.60       110
weighted avg       0.63      0.61      0.61       110

TN: 43
FN: 17
TP: 24
FP: 26
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
22.590835158121582
22.590835158121582
22.590835158121582
22.590835158121582
22.590835158121582
22.590835158121582
22.590835158121582
22.590835158121582
22.590835158121582
22.590835158121582
30.13858644969019
30.13858644969019
30.13858644969019
30.13858644969019
30.13858644969019
30.13858644969019
30.13858644969019
30.13858644969019
30.13858644969019
30.13858644969019
36.59693726222842
36.59693726222842
36.59693726222842
36.59693726222842
36.59693726222842
36.59693726222842
36.59693726222842
36.59693726222842
36.59693726222842
36.59693726222842
42.7706470781357
42.7706470781357
42.7706470781357
42.7706470781357
42.7706470781357
42.7706470781357
42.7706470781357
42.7706470781357
42.7706470781357
42.7706470781357
46.957690599418044
46.957690599418044
46.957690599418044
46.957690599418044
46.957690599418044
46.957690599418044
46.957690599418044
46.957690599418044
46.957690599418044
46.957690599418044
50.586201517603634
50.586201517603634
50.586201517603634
50.586201517603634
50.586201517603634
50.586201517603634
50.586201517603634
50.586201517603634
50.586201517603634
50.586201517603634
53.96190452264857
53.96190452264857
53.96190452264857
53.96190452264857
53.96190452264857
53.96190452264857
53.96190452264857
53.96190452264857
53.96190452264857
53.96190452264857
59.94750629744958
59.94750629744958
59.94750629744958
59.94750629744958
59.94750629744958
59.94750629744958
59.94750629744958
59.94750629744958
59.94750629744958
59.94750629744958
63.264998661050406
63.264998661050406
63.264998661050406
63.264998661050406
63.264998661050406
63.264998661050406
63.264998661050406
63.264998661050406
63.264998661050406
63.264998661050406
67.13842505338907
67.13842505338907
67.13842505338907
67.13842505338907
67.13842505338907
67.13842505338907
67.13842505338907
67.13842505338907
67.13842505338907
67.13842505338907
70.14025040173918
70.14025040173918
70.14025040173918
70.14025040173918
70.14025040173918
70.14025040173918
70.14025040173918
70.14025040173918
70.14025040173918
70.14025040173918
73.42806237701076
73.42806237701076
73.42806237701076
73.42806237701076
73.42806237701076
73.42806237701076
73.42806237701076
73.42806237701076
73.42806237701076
73.42806237701076
77.40035943628135
77.40035943628135
77.40035943628135
77.40035943628135
77.40035943628135
77.40035943628135
77.40035943628135
77.40035943628135
77.40035943628135
77.40035943628135
82.37220806995505
82.37220806995505
82.37220806995505
82.37220806995505
82.37220806995505
82.37220806995505
82.37220806995505
82.37220806995505
82.37220806995505
82.37220806995505
85.08383759412652
85.08383759412652
85.08383759412652
85.08383759412652
85.08383759412652
85.08383759412652
85.08383759412652
85.08383759412652
85.08383759412652
85.08383759412652
88.97530923156626
88.97530923156626
88.97530923156626
88.97530923156626
88.97530923156626
88.97530923156626
88.97530923156626
88.97530923156626
88.97530923156626
88.97530923156626
93.90787750459542
93.90787750459542
93.90787750459542
93.90787750459542
93.90787750459542
93.90787750459542
93.90787750459542
93.90787750459542
93.90787750459542
93.90787750459542
96.6805784364077
96.6805784364077
96.6805784364077
96.6805784364077
96.68057843640766
96.68057843640766
96.68057843640766
96.68057843640766
96.68057843640766
96.68057843640766
99.86044001073097
99.86044001073097
99.86044001073097
99.86044001073097
99.86044001073097
99.86044001073097
99.86044001073097
99.86044001073097
99.86044001073097
99.86044001073097

Average distances to the kth nearest neighbor within Test set:
18.81692483762269
18.81692483762269
18.81692483762269
18.81692483762269
18.81692483762269
18.81692483762269
18.81692483762269
18.81692483762269
18.81692483762269
18.81692483762269
24.632752565482733
24.632752565482733
24.632752565482733
24.632752565482733
24.632752565482733
24.632752565482733
24.632752565482733
24.632752565482733
24.632752565482733
24.632752565482733
29.69288138617537
29.69288138617537
29.69288138617537
29.69288138617537
29.69288138617537
29.69288138617537
29.69288138617537
29.69288138617537
29.69288138617537
29.69288138617537
37.63297824107401
37.63297824107401
37.63297824107401
37.63297824107401
37.63297824107401
37.63297824107401
37.63297824107401
37.63297824107401
37.63297824107401
37.63297824107401
42.7498098049156
42.7498098049156
42.7498098049156
42.7498098049156
42.7498098049156
42.7498098049156
42.7498098049156
42.7498098049156
42.7498098049156
42.7498098049156
47.308506160539906
47.308506160539906
47.308506160539906
47.308506160539906
47.308506160539906
47.308506160539906
47.308506160539906
47.308506160539906
47.308506160539906
47.308506160539906
50.71134505990888
50.71134505990888
50.71134505990888
50.71134505990888
50.71134505990888
50.71134505990888
50.71134505990888
50.71134505990888
50.71134505990888
50.71134505990888
53.817279745201276
53.817279745201276
53.817279745201276
53.817279745201276
53.817279745201276
53.817279745201276
53.817279745201276
53.817279745201276
53.817279745201276
53.817279745201276
59.53484251951
59.53484251951
59.53484251951
59.53484251951
59.53484251951
59.53484251951
59.53484251951
59.53484251951
59.53484251951
59.53484251951
63.559478687352055
63.559478687352055
63.559478687352055
63.559478687352055
63.559478687352055
63.559478687352055
63.559478687352055
63.559478687352055
63.559478687352055
63.559478687352055
67.80163265198509
67.80163265198509
67.80163265198509
67.80163265198509
67.80163265198509
67.80163265198509
67.80163265198509
67.80163265198509
67.80163265198509
67.80163265198509
69.8264084132622
69.8264084132622
69.8264084132622
69.8264084132622
69.8264084132622
69.8264084132622
69.8264084132622
69.8264084132622
69.8264084132622
69.8264084132622
72.16044352547091
72.16044352547091
72.16044352547091
72.16044352547091
72.16044352547091
72.16044352547091
72.16044352547091
72.16044352547091
72.16044352547091
72.16044352547091
77.17559910189226
77.17559910189226
77.17559910189226
77.17559910189226
77.17559910189226
77.17559910189226
77.17559910189226
77.17559910189226
77.17559910189226
77.17559910189226
80.13605284737505
80.13605284737505
80.13605284737505
80.13605284737505
80.13605284737505
80.13605284737505
80.13605284737505
80.13605284737505
80.13605284737505
80.13605284737505
84.08404161625114
84.08404161625114
84.08404161625114
84.08404161625114
84.08404161625114
84.08404161625114
84.08404161625114
84.08404161625114
84.08404161625114
84.08404161625114
87.69601839755009
87.69601839755009
87.69601839755009
87.69601839755009
87.69601839755009
87.69601839755009
87.69601839755009
87.69601839755009
87.69601839755009
87.69601839755009
92.19133611184233
92.19133611184233
92.19133611184233
92.19133611184233
92.19133611184233
92.19133611184233
92.19133611184233
92.19133611184233
92.19133611184233
92.19133611184233
95.12744922415663
95.12744922415663
95.12744922415663
95.12744922415663
95.12744922415668
95.12744922415668
95.12744922415668
95.12744922415668
95.12744922415668
95.12744922415668
99.45336962503916
99.45336962503916
99.45336962503916
99.45336962503916
99.45336962503916
99.45336962503916
99.45336962503916
99.45336962503916
99.45336962503916
99.45336962503916

AUC on kNN classifier for k=1 to 100:
0.37451396253092967
0.4469777306468717
0.44344291268999647
0.37451396253092967
0.37451396253092967
0.37451396253092967
0.36037469070342876
0.36037469070342876
0.36037469070342876
0.36037469070342876
0.36037469070342876
0.36037469070342876
0.36037469070342876
0.37451396253092967
0.37451396253092967
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.5
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
----- Human feature set:Mutual Info Score (top 5)  num features:5 -----
----- Triangle feature set:Mutual Info Score (top 5)  num features:5 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,-0.4102349118819963,0.1598884249660226,0.013730390539481331,-0.0035530761103560573,-0.288338201329108,0.05148896452305499,-0.172827115163089,
Triangle,-0.03553076110356058,-0.17836300516608533,-0.3146339788866492,-0.0832360690775065,-0.04263691332427269,-0.04263691332427269,0.20252326045734964,

Maximum Human MCC:0.1598884249660226
Maximum Triangle MCC:0.20252326045734964

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.2818181818181818,0.6090909090909091,0.5181818181818182,0.4636363636363636,0.37272727272727274,0.5363636363636364,0.35454545454545455,
Triangle,0.5181818181818182,0.5545454545454546,0.4636363636363636,0.37272727272727274,0.44545454545454544,0.44545454545454544,0.6090909090909091,

Maximum Human Accuracy:0.6090909090909091
Maximum Triangle Accuracy:0.6090909090909091

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.3780487804878049,0.5795334040296924,0.5070696359137504,0.4982325910215624,0.35153764581124075,0.5265111346765642,0.43107104984093325,
Triangle,0.48232591021562393,0.4469777306468717,0.37451396253092967,0.47525627430187345,0.47879109225874866,0.47879109225874866,0.604277129727819,

Maximum Human AUC:0.5795334040296924
Maximum Triangle AUC:0.604277129727819

--- Evaluating models for feature set:Mutual Info Score (top 10) ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5
auc:0.586603039943443
mcc:0.21714176007670152
              precision    recall  f1-score   support

       False       0.85      0.25      0.38        69
        True       0.42      0.93      0.58        41

   micro avg       0.50      0.50      0.50       110
   macro avg       0.64      0.59      0.48       110
weighted avg       0.69      0.50      0.46       110

TN: 17
FN: 3
TP: 38
FP: 52

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.5363636363636364
auc:0.5759985860728172
mcc:0.15278227274531048
              precision    recall  f1-score   support

       False       0.72      0.42      0.53        69
        True       0.43      0.73      0.54        41

   micro avg       0.54      0.54      0.54       110
   macro avg       0.58      0.58      0.54       110
weighted avg       0.61      0.54      0.54       110

TN: 29
FN: 11
TP: 30
FP: 40

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.5
auc:0.5618593142453163
mcc:0.13432162889206367
              precision    recall  f1-score   support

       False       0.73      0.32      0.44        69
        True       0.41      0.80      0.55        41

   micro avg       0.50      0.50      0.50       110
   macro avg       0.57      0.56      0.49       110
weighted avg       0.61      0.50      0.48       110

TN: 22
FN: 8
TP: 33
FP: 47

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.6272727272727273
auc:0.6732060798868857
mcc:0.3482014588148936
              precision    recall  f1-score   support

       False       0.85      0.49      0.62        69
        True       0.50      0.85      0.63        41

   micro avg       0.63      0.63      0.63       110
   macro avg       0.68      0.67      0.63       110
weighted avg       0.72      0.63      0.63       110

TN: 34
FN: 6
TP: 35
FP: 35

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.5363636363636364
auc:0.5265111346765642
mcc:0.05148896452305499
              precision    recall  f1-score   support

       False       0.65      0.57      0.60        69
        True       0.40      0.49      0.44        41

   micro avg       0.54      0.54      0.54       110
   macro avg       0.53      0.53      0.52       110
weighted avg       0.56      0.54      0.54       110

TN: 39
FN: 21
TP: 20
FP: 30

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.5363636363636364
auc:0.5265111346765642
mcc:0.05148896452305499
              precision    recall  f1-score   support

       False       0.65      0.57      0.60        69
        True       0.40      0.49      0.44        41

   micro avg       0.54      0.54      0.54       110
   macro avg       0.53      0.53      0.52       110
weighted avg       0.56      0.54      0.54       110

TN: 39
FN: 21
TP: 20
FP: 30

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.2636363636363636
auc:0.3091198303287381
mcc:-0.4144781691526536
              precision    recall  f1-score   support

       False       0.30      0.13      0.18        69
        True       0.25      0.49      0.33        41

   micro avg       0.26      0.26      0.26       110
   macro avg       0.28      0.31      0.26       110
weighted avg       0.28      0.26      0.24       110

TN: 9
FN: 21
TP: 20
FP: 60
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
1.2000736729138841
2.494354275467781
6.6544429796706135
6.767857252949672
6.878920487597911
6.87963454917354
9.883983260048957
15.532167394355142
16.294577030453375
17.2781806437571
24.903177355110703
25.215701890113827
26.112203702617702
26.510456143313114
26.524421518525028
26.538942595743364
26.538942595743364
26.538942595743364
26.598547358977925
28.139894669696748
31.051739455252342
32.380460890582484
36.47183105195866
36.8308451665505
37.24794089491224
37.8329023245109
37.94466726297379
39.63768268418867
40.134088954481896
41.24083142899127
41.389616021065756
41.48368962417034
41.61806906635814
41.78859442372732
42.881684103584305
44.51798033817052
44.65171174826823
46.267355830808974
47.05013750647202
50.35165407684034
51.64878296984032
52.38545122774945
52.67883510912697
52.924915362893024
52.982617261117554
53.02445054104265
53.61624373839725
53.64959571423857
54.91073959414024
57.5133608721965
59.96935289997226
60.0028435125748
60.13177177084834
63.458025082352854
63.47139000969774
64.367238809732
64.367238809732
64.38284251512383
64.40298720233332
64.40727490546769
64.71093476736483
68.23516118072772
68.24456474966375
68.27300983385723
68.28042067681514
71.30028598978501
71.4658074869737
72.80226495476771
72.81579859005237
73.35663134528377
73.50558486594805
73.50558486594805
73.50558486594805
73.51683092561997
73.52060921977878
73.60537843096935
73.7672367449014
73.9531961517492
74.23285482062063
74.23285482062063
74.23285482062063
74.23285482062063
74.23285482062063
75.04956115224321
75.27219511676503
77.13716910743123
77.16920706765
78.44992597813527
78.49583788464655
78.9188201558434
83.32959094598579
83.32959094598579
83.32959094598579
83.36250423853566
83.36250423853566
83.85114581758188
83.85114581758188
83.86979159404181
83.9140321405296
84.17722908758782
89.60545484920635
89.69831867831299
90.06871982434092
90.29149071467947
90.4480412218343
91.46683213010422
95.24713103307687
95.43110437417023
96.3195566688285
96.32769318770488
96.32769318770488
96.32769318770488
96.33453763569676
96.33519672343678
98.06845091229016
98.32071025826073
98.78871427661024
98.78966515057516
98.78966515057516
102.19021447175977
102.19021447175977
102.19021447175977
102.19021447175977
102.19064268902687
102.19064268902687
102.24627692990403
102.24627692990403
102.39534125076175
102.39534125076175
102.39534125076175
102.48922126213486
102.59025429396864
102.59025429396864
102.60097089669881
103.75440238269911
105.53432749993016
105.77822072091372
106.38509888269921
106.43355488577744
108.07006616013024
108.56252837750469
108.57755272380517
110.15320877189353
110.23210148720037
115.35489633514875
115.6194121927301
116.04318975048702
116.62344796901067
116.63408948480058
116.68250385926243
116.82768591966433
117.9358902085759
117.97763024153191
117.98972046526306
118.10088457208542
118.10088457208542
118.10088457208542
118.44935167489248
119.77520419822598
119.86012348235792
120.12389540497922
120.42600671962417
120.46766594140642
120.46837155387635
120.4883937852052
120.59244964112985
120.59244964112985
120.59244964112985
120.69317223939
121.61706529172092
122.56145725177988
122.56598015643175
123.31834362187134
123.36627037851902
123.9048227953365
123.9851121154559
124.12166903536392
124.31086781462801
124.55709638189323
124.55709638189323
124.93798860251965
124.98235432494783
125.13065995711595
125.13065995711595
125.92070908939928
129.5024636959613
129.5024636959613
130.586126132029
131.2148154780874
131.2148154780874
131.52448436242577
131.5258927191439
131.61808375548742
132.0197256941183
132.5948372007748
132.9172326943464
133.79844777438092
133.79844777438092
134.2334446015188

Average distances to the kth nearest neighbor within Test set:
35.64485142957057
35.64485142957057
38.99423299136686
69.7832568717686
72.49418503282487
72.49418503282487
72.49418503282487
72.49418503282487
72.49418503282487
72.49418503282487
74.23365436484862
81.42345904692847
81.61201969460176
81.874364178313
82.18058639284496
82.22609476622684
82.96540089279301
82.96540089279301
82.96540089279301
83.2819902678059
91.46714307248581
96.10296222406507
97.07515652797224
99.13547694756242
99.13547694756242
99.62443459453443
99.62443459453443
102.95082238851154
102.95082238851154
103.11135767136872
104.05792494772736
104.1819940471118
104.1819940471118
105.55671908148078
105.55671908148078
106.57015471215999
106.97647284928652
106.97647284928652
108.66531871962079
108.66531871962079
108.8221661939071
110.86908257535438
111.85773399714876
111.85773399714876
112.21992778657945
112.21992778657945
113.12778004411038
113.12778004411038
113.12778004411038
116.03093787098766
117.02168773890196
123.85729837912031
123.85729837912031
123.85729837912031
126.03061003626745
126.03061003626745
126.03061003626745
126.03061003626745
126.17432659967304
126.17432659967304
126.17432659967304
127.28280482211386
127.75792390544888
128.19603800680883
128.76403064576235
128.9665211092375
129.9097796174011
130.75512270091306
131.4646882091582
131.48616773768106
131.5534413900387
131.59380435274667
131.71445861098954
132.13799254634355
132.13799254634355
132.30822992327364
132.30822992327364
132.627015840902
132.627015840902
132.627015840902
132.627015840902
132.627015840902
132.627015840902
132.627015840902
132.627015840902
132.96094881401322
133.1781313416073
133.5201753127874
135.4289194202817
135.4289194202817
135.79137102574848
135.87926102226328
135.87926102226328
136.09030761332934
136.1872983044759
136.1872983044759
136.1872983044759
136.1872983044759
136.39510795796
136.39510795796
136.7827876809884
139.2807766727533
139.44931761152435
139.44931761152435
140.44097249604985
140.44097249604985
141.48330390403623
142.84918584938112
142.89396347251315
143.09714260961394
143.26867402023723
143.54740201195727
143.6493255896366
143.6493255896366
143.6493255896366
143.6493255896366
143.6493255896366
144.18690963200999
144.66400078793072
144.66400078793072
144.8090301241892
144.8090301241892
144.8090301241892
144.81754459214187
145.06698917848743
145.1423605419587
145.1423605419587
145.1423605419587
145.1423605419587
145.1423605419587
145.1423605419587
145.74878478977112
145.74878478977112
147.63741685227902
147.63741685227902
147.63741685227902
147.63741685227902
147.63741685227902
147.63741685227902
147.63741685227902
147.89489395337637
150.85465224975349
150.997260722546
152.24878709791213
152.24878709791213
154.7847015436532
154.7847015436532
155.50333255249106
156.57043590661027
156.57043590661027
157.3767167183247
158.42433432443957
163.57993453714604
163.6187888308046
163.74613129095317
164.39578510618392
164.99946971108994
165.1071593354581
165.11022013555194
166.0996115436645
166.0996115436645
166.0996115436645
166.80761148485436
166.80761148485436
166.80761148485436
166.83671306800508
167.5149693357085
167.5149693357085
167.76545431089667
167.87075744113343
168.7700941786242
169.42458951790755
169.42458951790755
170.25388753445588
170.54845143476467
171.2087399050244
173.78937860117162
173.78937860117162
174.62335329477582
174.62335329477582
174.62335329477582
174.62335329477582
175.02665802249587
177.26396473785
177.26396473785
177.26396473785
179.66406477047957
179.66406477047957
179.72908119181207
180.34818145906266
180.34818145906266
180.34818145906266
181.35257189442626
181.35257189442626
182.33163287100663
182.52547595643907
182.71659128143108
185.91254649463394
186.24722487946752
187.72031949207724

AUC on kNN classifier for k=1 to 100:
0.5618593142453163
0.5759985860728172
0.5759985860728172
0.6484623541887593
0.5618593142453163
0.5795334040296924
0.7014846235418876
0.7014846235418876
0.6873453517143867
0.7739483916578295
0.7739483916578295
0.7739483916578295
0.8570166136443973
0.7739483916578295
0.8570166136443973
0.8570166136443973
0.7315305761753269
0.7315305761753269
0.6590668080593849
0.7845528455284553
0.6590668080593849
0.7845528455284553
0.7845528455284553
0.7845528455284553
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.6590668080593849
0.5371155885471899
0.4646518204312478
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.36744432661717924
0.3815835984446801
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.3091198303287381
0.5141392718275009
0.20661010957935666
0.3091198303287381
0.41162955107811944
0.41162955107811944
0.20661010957935666
0.43107104984093325
0.3091198303287381
0.43107104984093325
0.3091198303287381
0.43107104984093325
0.43107104984093325
0.43107104984093325
0.20661010957935666
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.6090909090909091
auc:0.604277129727819
mcc:0.20252326045734964
              precision    recall  f1-score   support

       False       0.72      0.62      0.67        69
        True       0.48      0.59      0.53        41

   micro avg       0.61      0.61      0.61       110
   macro avg       0.60      0.60      0.60       110
weighted avg       0.63      0.61      0.61       110

TN: 43
FN: 17
TP: 24
FP: 26

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.4636363636363636
auc:0.39925768822905616
mcc:-0.2187523670527894
              precision    recall  f1-score   support

       False       0.56      0.65      0.60        69
        True       0.20      0.15      0.17        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.38      0.40      0.39       110
weighted avg       0.43      0.46      0.44       110

TN: 45
FN: 35
TP: 6
FP: 24

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.4636363636363636
auc:0.39925768822905616
mcc:-0.2187523670527894
              precision    recall  f1-score   support

       False       0.56      0.65      0.60        69
        True       0.20      0.15      0.17        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.38      0.40      0.39       110
weighted avg       0.43      0.46      0.44       110

TN: 45
FN: 35
TP: 6
FP: 24

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.5
auc:0.586603039943443
mcc:0.21714176007670152
              precision    recall  f1-score   support

       False       0.85      0.25      0.38        69
        True       0.42      0.93      0.58        41

   micro avg       0.50      0.50      0.50       110
   macro avg       0.64      0.59      0.48       110
weighted avg       0.69      0.50      0.46       110

TN: 17
FN: 3
TP: 38
FP: 52

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.44545454545454544
auc:0.47879109225874866
mcc:-0.04263691332427269
              precision    recall  f1-score   support

       False       0.60      0.35      0.44        69
        True       0.36      0.61      0.45        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.48      0.48      0.45       110
weighted avg       0.51      0.45      0.44       110

TN: 24
FN: 16
TP: 25
FP: 45

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.44545454545454544
auc:0.47879109225874866
mcc:-0.04263691332427269
              precision    recall  f1-score   support

       False       0.60      0.35      0.44        69
        True       0.36      0.61      0.45        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.48      0.48      0.45       110
weighted avg       0.51      0.45      0.44       110

TN: 24
FN: 16
TP: 25
FP: 45

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.6090909090909091
auc:0.604277129727819
mcc:0.20252326045734964
              precision    recall  f1-score   support

       False       0.72      0.62      0.67        69
        True       0.48      0.59      0.53        41

   micro avg       0.61      0.61      0.61       110
   macro avg       0.60      0.60      0.60       110
weighted avg       0.63      0.61      0.61       110

TN: 43
FN: 17
TP: 24
FP: 26
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
45.32099624603486
45.32099624603486
45.32099624603486
45.32099624603486
45.32099624603486
45.32099624603486
45.32099624603486
45.32099624603486
45.32099624603486
45.32099624603486
61.04001115452774
61.04001115452774
61.04001115452774
61.04001115452774
61.04001115452774
61.04001115452774
61.04001115452774
61.04001115452774
61.04001115452774
61.04001115452774
69.5978656741237
69.5978656741237
69.5978656741237
69.5978656741237
69.5978656741237
69.5978656741237
69.5978656741237
69.5978656741237
69.5978656741237
69.5978656741237
77.5242293287548
77.5242293287548
77.5242293287548
77.5242293287548
77.5242293287548
77.5242293287548
77.5242293287548
77.5242293287548
77.5242293287548
77.5242293287548
82.80451188161939
82.80451188161939
82.80451188161939
82.80451188161939
82.80451188161939
82.80451188161939
82.80451188161939
82.80451188161939
82.80451188161939
82.80451188161939
89.00500260511603
89.00500260511603
89.00500260511603
89.00500260511603
89.00500260511603
89.00500260511603
89.00500260511603
89.00500260511603
89.00500260511603
89.00500260511603
93.20161076602679
93.20161076602679
93.20161076602679
93.20161076602679
93.20161076602679
93.20161076602679
93.20161076602679
93.20161076602679
93.20161076602679
93.20161076602679
97.61271956816111
97.61271956816111
97.61271956816111
97.61271956816111
97.61271956816111
97.61271956816111
97.61271956816111
97.61271956816111
97.61271956816111
97.61271956816111
102.60760076088464
102.60760076088464
102.60760076088464
102.60760076088464
102.60760076088464
102.60760076088464
102.60760076088464
102.60760076088464
102.60760076088464
102.60760076088464
107.07026218618434
107.07026218618434
107.07026218618434
107.07026218618434
107.07026218618434
107.07026218618434
107.07026218618434
107.07026218618434
107.07026218618434
107.07026218618434
110.41572068737293
110.41572068737293
110.41572068737293
110.41572068737293
110.41572068737293
110.41572068737293
110.41572068737293
110.41572068737293
110.41572068737293
110.41572068737293
115.30497327667578
115.30497327667578
115.30497327667578
115.30497327667578
115.30497327667578
115.30497327667578
115.30497327667578
115.30497327667578
115.30497327667578
115.30497327667578
120.94058629394128
120.94058629394128
120.94058629394128
120.94058629394128
120.94058629394128
120.94058629394128
120.94058629394128
120.94058629394128
120.94058629394128
120.94058629394128
126.5466694513562
126.5466694513562
126.5466694513562
126.5466694513562
126.5466694513562
126.5466694513562
126.5466694513562
126.5466694513562
126.5466694513562
126.5466694513562
131.25630760924105
131.25630760924105
131.25630760924105
131.25630760924105
131.25630760924105
131.25630760924105
131.25630760924105
131.25630760924105
131.25630760924105
131.25630760924105
136.9725225720899
136.9725225720899
136.9725225720899
136.9725225720899
136.9725225720899
136.9725225720899
136.9725225720899
136.9725225720899
136.9725225720899
136.9725225720899
141.5114402963186
141.5114402963186
141.5114402963186
141.5114402963186
141.5114402963186
141.5114402963186
141.5114402963186
141.5114402963186
141.5114402963186
141.5114402963186
148.55808050212852
148.55808050212852
148.55808050212852
148.55808050212852
148.55808050212846
148.55808050212846
148.55808050212846
148.55808050212846
148.55808050212846
148.55808050212846
155.1171262842735
155.1171262842735
155.1171262842735
155.1171262842735
155.1171262842735
155.1171262842735
155.1171262842735
155.1171262842735
155.1171262842735
155.1171262842735

Average distances to the kth nearest neighbor within Test set:
36.368796437840885
36.368796437840885
36.368796437840885
36.368796437840885
36.368796437840885
36.368796437840885
36.368796437840885
36.368796437840885
36.368796437840885
36.368796437840885
52.224016582472395
52.224016582472395
52.224016582472395
52.224016582472395
52.224016582472395
52.224016582472395
52.224016582472395
52.224016582472395
52.224016582472395
52.224016582472395
62.98561872967381
62.98561872967381
62.98561872967381
62.98561872967381
62.98561872967381
62.98561872967381
62.98561872967381
62.98561872967381
62.98561872967381
62.98561872967381
69.98014248527643
69.98014248527643
69.98014248527643
69.98014248527643
69.98014248527643
69.98014248527643
69.98014248527643
69.98014248527643
69.98014248527643
69.98014248527643
76.61507113960295
76.61507113960295
76.61507113960295
76.61507113960295
76.61507113960295
76.61507113960295
76.61507113960295
76.61507113960295
76.61507113960295
76.61507113960295
80.72220779849215
80.72220779849215
80.72220779849215
80.72220779849215
80.72220779849215
80.72220779849215
80.72220779849215
80.72220779849215
80.72220779849215
80.72220779849215
86.92212488081937
86.92212488081937
86.92212488081937
86.92212488081937
86.92212488081937
86.92212488081937
86.92212488081937
86.92212488081937
86.92212488081937
86.92212488081937
91.28297573364887
91.28297573364887
91.28297573364887
91.28297573364887
91.28297573364887
91.28297573364887
91.28297573364887
91.28297573364887
91.28297573364887
91.28297573364887
95.03243621670909
95.03243621670909
95.03243621670909
95.03243621670909
95.03243621670909
95.03243621670909
95.03243621670909
95.03243621670909
95.03243621670909
95.03243621670909
101.41250105686788
101.41250105686788
101.41250105686788
101.41250105686788
101.41250105686788
101.41250105686788
101.41250105686788
101.41250105686788
101.41250105686788
101.41250105686788
107.92709957314429
107.92709957314429
107.92709957314429
107.92709957314429
107.92709957314429
107.92709957314429
107.92709957314429
107.92709957314429
107.92709957314429
107.92709957314429
111.80194661854216
111.80194661854216
111.80194661854216
111.80194661854216
111.80194661854216
111.80194661854216
111.80194661854216
111.80194661854216
111.80194661854216
111.80194661854216
114.87885670364503
114.87885670364503
114.87885670364503
114.87885670364503
114.87885670364503
114.87885670364503
114.87885670364503
114.87885670364503
114.87885670364503
114.87885670364503
119.35822947111883
119.35822947111883
119.35822947111883
119.35822947111883
119.35822947111883
119.35822947111883
119.35822947111883
119.35822947111883
119.35822947111883
119.35822947111883
125.21903144262261
125.21903144262261
125.21903144262261
125.21903144262261
125.21903144262261
125.21903144262261
125.21903144262261
125.21903144262261
125.21903144262261
125.21903144262261
127.40379919492229
127.40379919492229
127.40379919492229
127.40379919492229
127.40379919492229
127.40379919492229
127.40379919492229
127.40379919492229
127.40379919492229
127.40379919492229
131.3660655757049
131.3660655757049
131.3660655757049
131.3660655757049
131.3660655757049
131.3660655757049
131.3660655757049
131.3660655757049
131.3660655757049
131.3660655757049
135.2139047625153
135.2139047625153
135.2139047625153
135.2139047625153
135.2139047625153
135.2139047625153
135.2139047625153
135.2139047625153
135.2139047625153
135.2139047625153
140.59875466020878
140.59875466020878
140.59875466020878
140.59875466020878
140.59875466020875
140.59875466020875
140.59875466020875
140.59875466020875
140.59875466020875
140.59875466020875
145.14260028623525
145.14260028623525
145.14260028623525
145.14260028623525
145.14260028623525
145.14260028623525
145.14260028623525
145.14260028623525
145.14260028623525
145.14260028623525

AUC on kNN classifier for k=1 to 100:
0.4098621420996819
0.39925768822905616
0.3851184164015553
0.4717214563449982
0.39925768822905616
0.4717214563449982
0.4575821845174973
0.4575821845174973
0.4575821845174973
0.4575821845174973
0.4575821845174973
0.4575821845174973
0.4575821845174973
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.4717214563449982
0.39925768822905616
0.5247437256981266
0.5247437256981266
0.5247437256981266
0.5247437256981266
0.5247437256981266
0.4717214563449982
0.4469777306468717
0.4469777306468717
0.5
0.4469777306468717
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
----- Human feature set:Mutual Info Score (top 10)  num features:10 -----
----- Triangle feature set:Mutual Info Score (top 10)  num features:10 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.21714176007670152,0.15278227274531048,0.13432162889206367,0.3482014588148936,0.05148896452305499,0.05148896452305499,-0.4144781691526536,
Triangle,0.20252326045734964,-0.2187523670527894,-0.2187523670527894,0.21714176007670152,-0.04263691332427269,-0.04263691332427269,0.20252326045734964,

Maximum Human MCC:0.3482014588148936
Maximum Triangle MCC:0.21714176007670152

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.5,0.5363636363636364,0.5,0.6272727272727273,0.5363636363636364,0.5363636363636364,0.2636363636363636,
Triangle,0.6090909090909091,0.4636363636363636,0.4636363636363636,0.5,0.44545454545454544,0.44545454545454544,0.6090909090909091,

Maximum Human Accuracy:0.6272727272727273
Maximum Triangle Accuracy:0.6090909090909091

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.586603039943443,0.5759985860728172,0.5618593142453163,0.6732060798868857,0.5265111346765642,0.5265111346765642,0.3091198303287381,
Triangle,0.604277129727819,0.39925768822905616,0.39925768822905616,0.586603039943443,0.47879109225874866,0.47879109225874866,0.604277129727819,

Maximum Human AUC:0.6732060798868857
Maximum Triangle AUC:0.604277129727819

--- Evaluating models for feature set:Mutual Info Score (top 20) ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.6181818181818182
auc:0.576882290562036
mcc:0.1596276533973107
              precision    recall  f1-score   support

       False       0.68      0.74      0.71        69
        True       0.49      0.41      0.45        41

   micro avg       0.62      0.62      0.62       110
   macro avg       0.58      0.58      0.58       110
weighted avg       0.61      0.62      0.61       110

TN: 51
FN: 24
TP: 17
FP: 18

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.44545454545454544
auc:0.40455991516436907
mcc:-0.1918661099592271
              precision    recall  f1-score   support

       False       0.56      0.57      0.56        69
        True       0.25      0.24      0.25        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.40      0.40      0.40       110
weighted avg       0.44      0.45      0.44       110

TN: 39
FN: 31
TP: 10
FP: 30

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.5363636363636364
auc:0.5759985860728172
mcc:0.15278227274531048
              precision    recall  f1-score   support

       False       0.72      0.42      0.53        69
        True       0.43      0.73      0.54        41

   micro avg       0.54      0.54      0.54       110
   macro avg       0.58      0.58      0.54       110
weighted avg       0.61      0.54      0.54       110

TN: 29
FN: 11
TP: 30
FP: 40

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.5181818181818182
auc:0.41304347826086957
mcc:-0.26973976087712376
              precision    recall  f1-score   support

       False       0.58      0.83      0.68        69
        True       0.00      0.00      0.00        41

   micro avg       0.52      0.52      0.52       110
   macro avg       0.29      0.41      0.34       110
weighted avg       0.36      0.52      0.43       110

TN: 57
FN: 41
TP: 0
FP: 12

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.44545454545454544
auc:0.5035348179568753
mcc:0.007675521650975067
              precision    recall  f1-score   support

       False       0.63      0.28      0.38        69
        True       0.38      0.73      0.50        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.50      0.50      0.44       110
weighted avg       0.54      0.45      0.43       110

TN: 19
FN: 11
TP: 30
FP: 50

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.5
auc:0.49752562743018736
mcc:-0.004786528713785696
              precision    recall  f1-score   support

       False       0.62      0.51      0.56        69
        True       0.37      0.49      0.42        41

   micro avg       0.50      0.50      0.50       110
   macro avg       0.50      0.50      0.49       110
weighted avg       0.53      0.50      0.51       110

TN: 35
FN: 21
TP: 20
FP: 34

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.2636363636363636
auc:0.3091198303287381
mcc:-0.4144781691526536
              precision    recall  f1-score   support

       False       0.30      0.13      0.18        69
        True       0.25      0.49      0.33        41

   micro avg       0.26      0.26      0.26       110
   macro avg       0.28      0.31      0.26       110
weighted avg       0.28      0.26      0.24       110

TN: 9
FN: 21
TP: 20
FP: 60
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
1.6494674443297475
3.286786648288435
8.070785613842775
8.42334531537069
8.479734881214673
8.47974520209631
12.064266576484378
18.93091284771543
19.073866297968358
20.38103125462225
28.795530197572155
29.45484770214159
30.223835800013983
30.670488234836053
30.839401123429205
30.98754869259261
31.004770499083893
31.004770499083893
31.134117279084247
33.52250985349849
36.36808962308602
37.39774562848512
42.106730987905806
42.19220308282146
43.13814781478392
44.5449617468155
44.86724465472387
46.85668048957121
47.9252843043807
48.062979988386566
48.063571588516616
48.09020774712384
48.107667719103326
48.8132566688741
50.489585418396665
52.4258580764734
52.69324248424547
54.31636890986764
55.37427761944758
60.559086361721924
63.74193312001271
63.74193312001271
63.808860533303964
63.91182166568112
63.92035787073722
64.08567992065544
64.3956342861207
64.39949229097247
65.51622661526383
70.83502944427525
73.22701175820862
73.2864353546276
73.3012789647419
76.8313163937338
77.34015751675877
77.37149893474646
77.37172080169995
77.38160413755114
77.38160413755114
77.38160413755114
77.62702580766867
81.02575729312207
81.13320244473277
81.37442969358506
81.68756416437773
86.81873286698807
87.19383600021408
87.25177443985494
87.25177443985494
87.25579834714168
87.25579834714168
87.25579834714168
87.27972067519727
87.33544412630093
87.51345108829383
87.6758671238326
88.17525816514791
88.69405731628493
88.83296930429563
88.84515438802791
88.84516121960034
88.8452344525139
88.8452344525139
89.88847137458596
92.73741922474487
98.1955077973727
98.41342717381858
98.68439425853205
98.7198052221512
98.73118770558484
98.90241664289496
98.97152700405168
98.97334880539553
98.97334880539553
99.11919316199538
100.34165270947692
102.87574123991598
102.88853655736592
104.68625073626107
104.73037580010516
106.87171565897415
109.84585023517617
110.50820239886721
112.03319064383074
114.03636680558061
115.22330866706778
120.23174243732423
120.2774650723987
122.94341018038413
122.9446303850252
123.33936028655118
123.47958979667136
123.49092534984524
123.49092534984524
124.07961358199321
124.09436829732124
126.52570058933519
127.81789668032218
127.82256269860703
131.37384679577855
131.37384679577855
131.39586243810555
131.4038864974354
131.56214573521365
131.66707486575172
131.68955985487318
131.7003968432824
132.20273847016546
132.26871447829836
132.6851358256474
132.8738463948747
133.33189090776648
133.3458932774069
133.37976680089733
134.21611541902388
134.36700714240345
136.47970860494348
136.53581788932695
137.44073745505364
139.40964108547266
140.36146404457455
140.54586202821787
140.55655902405712
140.76545827723166
141.22298458991742
141.29791119757883
141.32603266436695
141.36483141245432
141.36483141245432
141.62930641590395
141.65887840616708
142.9501902587883
143.11533943079374
144.9971361028241
145.06613434941758
145.13619044791983
145.20313594620913
145.36427042397725
145.97019653079388
146.09432137120592
146.28953828829205
146.4853155827454
146.78546264089306
146.78546264089306
146.8558166987771
147.0711515823396
147.0711515823396
147.0711515823396
147.10842545968436
148.33862121118807
148.33862121118807
148.33862121118807
148.8412101660368
149.1434957361029
149.30760578014187
149.39972174783207
152.54561107108373
153.43236726922757
155.52499118505594
155.56401583549578
158.04426891213336
158.66681370192566
158.6751269447819
158.75794570657297
159.81432509922683
161.0065869113195
162.57655197796308
162.8795179885315
163.32294173287266
163.33799437072187
163.33799437072187
163.3650486291503
163.36505085244298
163.3705665576093
165.85891760459106
166.7185406186813
168.16502281864948
168.68374048788885
168.70073260915373

Average distances to the kth nearest neighbor within Test set:
57.09676615759003
57.476279790915484
61.04605849612083
94.64436261445108
102.18331340482935
102.27930484385617
102.27930484385617
102.77600081442964
102.77600081442964
102.77600081442964
103.12390976655203
112.82559774391869
112.87429900165392
112.87429900165392
112.87429900165392
114.70742999950419
117.21453587786348
117.67140081810449
118.13326979578635
121.69937325869459
122.62379649718864
129.87902925732868
129.87902925732868
132.0352720733354
132.0352720733354
132.81636785566548
132.81636785566548
137.21898002396517
137.6524396668075
137.76153955114484
137.76153955114484
137.96299739983294
137.96299739983294
137.96299739983294
139.53945726324858
139.53945726324858
140.1442378425617
141.32741628185525
141.37829207278608
141.37830438163033
141.37830438163033
141.37830438163033
141.37830438163033
141.37830438163033
141.37830438163033
141.37830438163033
142.96231541769941
142.96231541769941
143.04051243512603
143.04051243512603
145.0917114694463
154.9930140263956
155.21907310629166
155.21916298502398
156.13299761279248
156.13299761279248
156.25768467210892
156.25768467210892
156.83788101938956
156.83788101938956
156.83788101938956
156.9043955513331
157.15508505079745
157.15508505079745
158.47137413143741
158.61411675219475
160.33967012723028
160.9125161420578
160.9125161420578
160.9125161420578
160.9125161420578
160.9125161420578
161.56011004714387
161.56011004714387
161.5601197550321
161.56014382519646
161.56014382519646
161.69158978992553
161.69171112003932
162.2182167616588
163.08834481668424
163.08856846302254
163.08856846302254
163.08856846302254
164.2516111917983
165.05711446219667
165.88231391012357
166.23051280928743
166.2935302334261
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
166.87127049826148
167.06692394783872
167.06692394783872
167.85763049465436
169.24799529077958
169.2480588581507
170.92116454418317
171.15913793897042
172.20496143750736
172.52223802414454
173.53667354767353
173.53667354767353
173.6542581830501
173.6542581830501
173.6542581830501
173.6542581830501
173.6542581830501
174.22070121882214
175.31893800898692
176.09401334237114
176.09401334237114
176.09401334237114
176.09401334237114
176.09401334237114
176.09401334237114
176.09420303299677
176.71985307942575
179.24554541340962
179.24554541340962
180.47851168553305
180.47851168553305
180.47851168553305
180.47851168553305
180.60666366740637
182.00455733989375
183.99681917036986
184.90103539694798
185.33456854394174
185.5765486384415
186.69638782461072
190.2044617800722
190.97695909445028
190.97702267793446
191.47804783828076
191.92047511045635
193.75767221179635
195.37892705680954
196.49692427099333
196.49692427099333
198.78293151285285
198.97764410782102
204.1034519132684
204.59911351746828
205.23222602042208
206.56274711574804
206.89622386480048
206.89622386480048
206.89622386480048
207.03525869613443
207.03525869613443
207.03525869613443
207.03525869613443
207.03525869613443
207.03525869613443
207.49459933221075
208.5944418380808
209.03313403682978
209.03313403682978
209.03313403682978
210.56599113247466
210.73603558494767
210.73603558494767
211.11903561777714
211.11903561777714
212.84000753701304
214.56570043379025
214.79403568453304
214.79403568453304
214.87713065945763
215.18882871618587
215.33839394771982
215.5451650467415
215.5451650467415
215.5451650467415
215.5451650467415
216.44055862276602
217.15877548594716
217.3272702055373
217.50279152717926
218.01063932432794
218.01063932432794
218.01142441790446
218.01142441790446
218.65862428055016
220.74920054588787
220.74920054588787
222.27776752524213
222.3694139736845
222.62577648223163

AUC on kNN classifier for k=1 to 100:
0.45934959349593496
0.40455991516436907
0.6290208554259455
0.5070696359137504
0.5759985860728172
0.5265111346765642
0.6484623541887593
0.5265111346765642
0.5265111346765642
0.5265111346765642
0.45404736656062217
0.45404736656062217
0.5371155885471899
0.45404736656062217
0.5371155885471899
0.5371155885471899
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.5371155885471899
0.4646518204312478
0.5371155885471899
0.5371155885471899
0.5371155885471899
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3815835984446801
0.3743372216330859
0.3743372216330859
0.3743372216330859
0.3743372216330859
0.3743372216330859
0.3743372216330859
0.3921880523153058
0.30187345351714384
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3780487804878049
0.3921880523153058
0.3780487804878049
0.3780487804878049
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.6636363636363637
auc:0.7120890774125133
mcc:0.4263691332427269
              precision    recall  f1-score   support

       False       0.90      0.52      0.66        69
        True       0.53      0.90      0.67        41

   micro avg       0.66      0.66      0.66       110
   macro avg       0.71      0.71      0.66       110
weighted avg       0.76      0.66      0.66       110

TN: 36
FN: 4
TP: 37
FP: 33

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.44545454545454544
auc:0.35507246376811596
mcc:-0.363380088291623
              precision    recall  f1-score   support

       False       0.54      0.71      0.62        69
        True       0.00      0.00      0.00        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.27      0.36      0.31       110
weighted avg       0.34      0.45      0.39       110

TN: 49
FN: 41
TP: 0
FP: 20

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.5
auc:0.46288441145281023
mcc:-0.0746145983174772
              precision    recall  f1-score   support

       False       0.60      0.61      0.60        69
        True       0.33      0.32      0.32        41

   micro avg       0.50      0.50      0.50       110
   macro avg       0.46      0.46      0.46       110
weighted avg       0.50      0.50      0.50       110

TN: 42
FN: 28
TP: 13
FP: 27

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.6545454545454545
auc:0.6454577589254153
mcc:0.2843571532568143
              precision    recall  f1-score   support

       False       0.75      0.68      0.71        69
        True       0.53      0.61      0.57        41

   micro avg       0.65      0.65      0.65       110
   macro avg       0.64      0.65      0.64       110
weighted avg       0.67      0.65      0.66       110

TN: 47
FN: 16
TP: 25
FP: 22

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.4636363636363636
auc:0.5279250618593143
mcc:0.06199471550601849
              precision    recall  f1-score   support

       False       0.68      0.28      0.39        69
        True       0.39      0.78      0.52        41

   micro avg       0.46      0.46      0.46       110
   macro avg       0.53      0.53      0.46       110
weighted avg       0.57      0.46      0.44       110

TN: 19
FN: 9
TP: 32
FP: 50

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.44545454545454544
auc:0.47879109225874866
mcc:-0.04263691332427269
              precision    recall  f1-score   support

       False       0.60      0.35      0.44        69
        True       0.36      0.61      0.45        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.48      0.48      0.45       110
weighted avg       0.51      0.45      0.44       110

TN: 24
FN: 16
TP: 25
FP: 45

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.6090909090909091
auc:0.604277129727819
mcc:0.20252326045734964
              precision    recall  f1-score   support

       False       0.72      0.62      0.67        69
        True       0.48      0.59      0.53        41

   micro avg       0.61      0.61      0.61       110
   macro avg       0.60      0.60      0.60       110
weighted avg       0.63      0.61      0.61       110

TN: 43
FN: 17
TP: 24
FP: 26
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.0041945945945945935
0.021032432432432437
0.03294324324324325
0.03294324324324325
0.04276216216216217
0.04276216216216217
0.06073513513513514
0.12567297297297314
0.1589378378378379
74.65873909158937
74.65908900798203
74.65908900798203
74.65908900798203
74.65908900798203
74.65908900798203
74.65908900798203
74.65908900798203
74.65989821062279
74.65989821062279
102.62829792288433
102.62846114350779
102.62909289131221
102.62909289131221
102.62909289131221
102.62940829825067
102.62940829825067
102.63011099294947
102.63055139446469
102.6306426029927
133.15451279685445
133.1545353121523
133.15508507630372
133.15514234305215
133.15514234305215
133.15531803152888
133.15531803152888
133.15531803152888
133.15531803152888
133.1553362253714
142.0926039363221
142.092796876107
142.0930405341435
142.0930405341435
142.0930405341435
142.09307599190709
142.09307599190709
142.09307599190709
142.0933148553158
142.09336174724783
151.90319046990962
151.90359139344338
151.903880318536
151.90388042500646
151.90388042500646
151.90402460570618
151.90402460570618
151.9040677261565
151.90440286172694
151.90450759011955
168.6902136951952
168.69037317469846
168.6904381234285
168.69047479600138
168.69047479600138
168.69047479600138
168.69047479600138
168.69047479600138
168.69062543187692
168.69067976233518
177.7116148998992
177.71182112744177
177.71183689663715
177.71191917731957
177.71191917731957
177.71191917731957
177.71191917731957
177.71191917731957
177.7123161167183
177.7124133694021
185.79823077151616
185.79828832559554
185.79829350896222
185.79842288226862
185.79842288226862
185.79842288226862
185.79842288226862
185.79842288226862
185.7984814100959
185.79852699324886
194.92542313313922
194.92560569828413
194.92560569828413
194.925703389201
194.925703389201
194.925703389201
194.925703389201
194.92575286935272
194.92578665272387
194.9258171638202
207.06377019385255
207.06384335701318
207.06448299034855
207.06448299034855
207.06448299034855
207.0648077652012
207.0648077652012
207.0648077652012
207.06482650796556
207.0648484140386
215.56605824014628
215.56614609824587
215.5661599116147
215.5661599116147
215.5661599116147
215.5661599116147
215.5661599116147
215.5661695091367
215.56634880660658
215.56637213238238
222.59464246925452
222.59473189480687
222.59565932092207
222.59571490350007
222.59571490350007
222.59617288986868
222.59617288986868
222.59624174977833
222.59645707885636
222.59649835958174
228.44446305136523
228.4445786603071
228.4445786603071
228.44459560755448
228.44459560755448
228.44459560755448
228.44459560755448
228.4447086805841
228.44488170187003
228.44488761333915
235.3840904613142
235.3841088808306
235.38416903417502
235.3844249267759
235.3844249267759
235.3844249267759
235.3844249267759
235.3844249267759
235.38452242045665
235.38452242045665
242.42670294109692
242.42673396403944
242.4267484642775
242.42682397436855
242.42682397436855
242.42682397436855
242.42682397436855
242.4268433004643
242.4269789016193
242.4269789016193
249.88469912163697
249.88490499161637
249.88531439163472
249.88531439163472
249.88531439163472
249.885521769433
249.885521769433
249.8857046999649
249.88583591740198
249.88583591740198
257.07761063030927
257.0776715338686
257.07772996513245
257.0777743867981
257.0777743867981
257.0777743867981
257.0777743867981
257.0777743867981
257.0778239683239
257.0778271025193
272.31390761515655
272.3140534138694
272.3141149359685
272.3141149359685
272.31411493596823
272.31411493596823
272.31411493596823
272.31411493596823
272.31416155344107
272.31416641940507
279.5126157703919
279.5127116889559
279.51277310055167
279.51277310055167
279.51277310055167
279.51277310055167
279.51277310055167
279.51277310055167
279.51282019309315
279.51282019309315

Average distances to the kth nearest neighbor within Test set:
54.51177809927376
54.51177809927376
54.51179027452291
54.51179027452291
54.51179027452291
54.51179027452291
54.51179027452291
54.51179027452291
54.51268627232973
54.51268627232973
95.41451817876522
95.4146703519386
95.41468411719272
95.41468411719272
95.41468411719272
95.41468411719272
95.41468411719272
95.41468411719272
95.41535681522386
95.41553030756276
104.73147505999805
104.73147505999805
104.73172169711547
104.73172169711547
104.73172169711547
104.73172169711547
104.73172169711547
104.73172169711547
104.73180991882367
104.73180991882367
120.01575681328741
120.01663480820852
120.01663776706025
120.01663776706025
120.01663776706025
120.01663776706025
120.01663776706025
120.01663776706025
120.01690996495674
120.01690996495674
129.46704922621728
129.46725598914847
129.46851921652043
129.46851921652043
129.46851921652043
129.46881039415067
129.46881039415067
129.46881039415067
129.4689546717709
129.4689546717709
138.39949062572808
138.39965215775294
138.39965215775294
138.39965215775294
138.39965215775294
138.39965215775294
138.39965215775294
138.39965215775294
138.39965215775294
138.39976109436466
146.81502378079796
146.8150952974839
146.8161641386183
146.8161641386183
146.8161641386183
146.8161641386183
146.8161641386183
146.8161641386183
146.81645790475343
146.81670952114433
152.72579769752235
152.72603196113133
152.72603196113133
152.72626121125492
152.72626121125492
152.72626121125492
152.72626121125492
152.72626121125492
152.72635370147023
152.72635370147023
158.88900234765825
158.89015092234035
158.89041730487946
158.89041730487946
158.89041730487946
158.89041730487946
158.89041730487946
158.89041730487946
158.89066619538926
158.89066619538926
162.96579373394874
162.9664203651585
162.9673430775583
162.96734467490947
162.96734467490947
162.96734467490947
162.96734467490947
162.96735494359558
162.96740310619253
162.96740310619253
174.55159954993513
174.5517320418195
174.5517320418195
174.5517320418195
174.5517320418195
174.5517320418195
174.5517320418195
174.5517320418195
174.5517320418195
174.55176860381653
179.98790302583413
179.9881607695342
179.988455698718
179.988455698718
179.988455698718
179.988455698718
179.988455698718
179.988455698718
179.988455698718
179.988455698718
188.17757147749197
188.17757147749197
188.17817060503742
188.1782125973491
188.1782125973491
188.1782125973491
188.1782125973491
188.1788372705745
188.1790199765094
188.1790199765094
194.47138243509912
194.47159038079732
194.4732705615343
194.4732705615343
194.4732705615343
194.47404357944725
194.47404357944725
194.47404357944725
194.47407748701693
194.47407748701693
199.38296149441769
199.3833319292915
199.3833319292915
199.3833319292915
199.3833319292915
199.3833319292915
199.3833319292915
199.3833319292915
199.38335222027084
199.3834365683199
205.46316046127598
205.4634153805724
205.46349444085806
205.46354539919005
205.46354539919005
205.46354539919005
205.46354539919005
205.46354539919005
205.4635520979171
205.4635520979171
210.87727964566614
210.8776093334575
210.8776093334575
210.8776093334575
210.8776093334575
210.8776093334575
210.8776093334575
210.8776093334575
210.8777624441261
210.8777624441261
218.1902351155679
218.19029904703788
218.19029904703788
218.19029904703788
218.19029904703788
218.19029904703788
218.19029904703788
218.19029904703788
218.19032247015875
218.19032247015875
235.73504811772693
235.73504811772693
235.73551132654538
235.73551132654538
235.7355113265455
235.7355113265455
235.7355113265455
235.7355113265455
235.7355294149507
235.7355294149507
245.99075055352745
245.99169817463172
245.99176499368693
245.99176499368693
245.99176499368693
245.99176499368693
245.99176499368693
245.99176499368693
245.99176499368693
245.99176499368693

AUC on kNN classifier for k=1 to 100:
0.4098621420996819
0.35507246376811596
0.4098621420996819
0.5106044538706257
0.46288441145281023
0.5106044538706257
0.5212089077412513
0.4964651820431248
0.5212089077412513
0.4381406857546837
0.5212089077412513
0.5936726758571934
0.5159066808059385
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4469777306468717
0.4717214563449982
0.4469777306468717
0.554789678331566
0.4717214563449982
0.4717214563449982
0.4469777306468717
0.4469777306468717
0.5
0.5300459526334393
0.5
0.5
0.5
0.5830682219865676
0.5
0.5
0.5830682219865676
0.4855072463768116
0.5
0.4855072463768116
0.5
0.4855072463768116
0.5
0.4469777306468717
0.5
0.4469777306468717
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
----- Human feature set:Mutual Info Score (top 20)  num features:20 -----
----- Triangle feature set:Mutual Info Score (top 20)  num features:20 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.1596276533973107,-0.1918661099592271,0.15278227274531048,-0.26973976087712376,0.007675521650975067,-0.004786528713785696,-0.4144781691526536,
Triangle,0.4263691332427269,-0.363380088291623,-0.0746145983174772,0.2843571532568143,0.06199471550601849,-0.04263691332427269,0.20252326045734964,

Maximum Human MCC:0.1596276533973107
Maximum Triangle MCC:0.4263691332427269

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.6181818181818182,0.44545454545454544,0.5363636363636364,0.5181818181818182,0.44545454545454544,0.5,0.2636363636363636,
Triangle,0.6636363636363637,0.44545454545454544,0.5,0.6545454545454545,0.4636363636363636,0.44545454545454544,0.6090909090909091,

Maximum Human Accuracy:0.6181818181818182
Maximum Triangle Accuracy:0.6636363636363637

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.576882290562036,0.40455991516436907,0.5759985860728172,0.41304347826086957,0.5035348179568753,0.49752562743018736,0.3091198303287381,
Triangle,0.7120890774125133,0.35507246376811596,0.46288441145281023,0.6454577589254153,0.5279250618593143,0.47879109225874866,0.604277129727819,

Maximum Human AUC:0.576882290562036
Maximum Triangle AUC:0.7120890774125133

--- Evaluating models for feature set:Variance ---
----- Evaluating classifiers for Human data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.44545454545454544
auc:0.42435489572287033
mcc:-0.1475063891239977
              precision    recall  f1-score   support

       False       0.56      0.51      0.53        69
        True       0.29      0.34      0.31        41

   micro avg       0.45      0.45      0.45       110
   macro avg       0.43      0.42      0.42       110
weighted avg       0.46      0.45      0.45       110

TN: 35
FN: 27
TP: 14
FP: 34

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.6909090909090909
auc:0.6447507953340403
mcc:0.31115231424681816
              precision    recall  f1-score   support

       False       0.72      0.83      0.77        69
        True       0.61      0.46      0.53        41

   micro avg       0.69      0.69      0.69       110
   macro avg       0.67      0.64      0.65       110
weighted avg       0.68      0.69      0.68       110

TN: 57
FN: 22
TP: 19
FP: 12

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.509090909090909
auc:0.5047720042417816
mcc:0.009235744878881904
              precision    recall  f1-score   support

       False       0.63      0.52      0.57        69
        True       0.38      0.49      0.43        41

   micro avg       0.51      0.51      0.51       110
   macro avg       0.50      0.50      0.50       110
weighted avg       0.54      0.51      0.52       110

TN: 36
FN: 21
TP: 20
FP: 33

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.5272727272727272
auc:0.504418522446094
mcc:0.00869081689047868
              precision    recall  f1-score   support

       False       0.63      0.59      0.61        69
        True       0.38      0.41      0.40        41

   micro avg       0.53      0.53      0.53       110
   macro avg       0.50      0.50      0.50       110
weighted avg       0.54      0.53      0.53       110

TN: 41
FN: 24
TP: 17
FP: 28

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.509090909090909
auc:0.5691056910569106
mcc:0.14854768604457375
              precision    recall  f1-score   support

       False       0.74      0.33      0.46        69
        True       0.42      0.80      0.55        41

   micro avg       0.51      0.51      0.51       110
   macro avg       0.58      0.57      0.51       110
weighted avg       0.62      0.51      0.49       110

TN: 23
FN: 8
TP: 33
FP: 46

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.5636363636363636
auc:0.5383527748320961
mcc:0.07601015724597174
              precision    recall  f1-score   support

       False       0.66      0.64      0.65        69
        True       0.42      0.44      0.43        41

   micro avg       0.56      0.56      0.56       110
   macro avg       0.54      0.54      0.54       110
weighted avg       0.57      0.56      0.57       110

TN: 44
FN: 23
TP: 18
FP: 25

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.6272727272727273
auc:0.5742311770943797
mcc:0.1611859546704764
              precision    recall  f1-score   support

       False       0.68      0.78      0.72        69
        True       0.50      0.37      0.42        41

   micro avg       0.63      0.63      0.63       110
   macro avg       0.59      0.57      0.57       110
weighted avg       0.61      0.63      0.61       110

TN: 54
FN: 26
TP: 15
FP: 15
------ Nearest Neighbor evaluation for Human data -----
Average distances to the kth nearest neighbor within training set:
0.0
2.789426072567293
5.237122358197583
10.341675227451825
10.827190131480487
11.04160016398622
12.23332682656934
15.266809788670717
22.288099791876313
22.91305498516426
24.317520061529322
33.35373823754201
33.79251834200666
35.10458312637732
36.358888753077764
39.94546223479821
40.310679271987645
40.39875603620209
40.502128236694475
41.73603289153607
43.849979673904144
47.258390066598096
47.91917118400776
53.07559554110404
53.34053057756472
56.70913697662273
58.43427266414683
58.691378142468984
60.13847303441201
60.54772604231664
60.63264509272069
60.69231918245616
60.82940171655982
61.13283641231821
61.769022113535506
65.61268462725047
68.31208246020515
68.81247625853558
70.92644194002868
71.64335693616452
74.24686759876727
76.44902494126646
77.01615290759807
77.04343170808896
77.19534800288268
77.21933865679289
77.3800173972324
77.90631558683363
77.94121276485835
79.36138909628714
80.40048499063482
83.99797791084326
84.10649668327262
86.29650013158873
90.26819939796708
90.7732191191285
91.7217244145747
91.74600238898138
91.75284073887923
91.76808119653616
91.80027377730555
92.08645549280254
92.44795724598687
92.93326400458112
93.25619507112204
93.58357021796239
97.64715172795559
98.08675748737362
98.10163590953108
98.76918963281628
98.77893388249737
98.78750704687829
98.86406066394865
98.91398090870251
99.03462989069448
100.46693628813888
101.87803957095913
102.86327943407207
103.92315094277944
104.02268810922126
104.04364224353328
104.07370402368723
104.08661382661698
104.19259626948596
104.61900893630934
106.51691396727972
112.00835322947044
112.33755897111153
112.58611466977854
112.6213147583093
112.67276123904759
113.46504544496001
113.88999735568385
114.58701965598421
115.01476390968661
115.02909733098474
115.49524162167683
118.90458294352834
118.99208912863796
119.96240777903441
120.0171136704966
120.98575705801555
123.96806344001507
124.75812932740901
130.84939006918327
130.8733220953987
133.381275209248
133.79198241041638
133.9960260699921
134.08661010263145
134.12355480979608
134.24858940062578
134.33357585106862
134.6169457255096
134.62675507983036
135.75631037575434
135.7627270175231
137.33066779554287
137.3895676809307
139.6429091357013
141.0399189663171
141.0534341260951
141.28374612770992
141.29189412525056
141.63345234011643
141.69660502314468
141.83319080469127
141.99318952444955
142.32101942037684
142.5444780762667
142.7371655702267
143.23839777584843
144.1657343127956
144.24783880352035
144.37199192968404
144.993562853283
145.6337303404359
147.34500121205164
147.6379516855773
148.77062753003506
150.32337451812518
151.40889522155337
151.60356711927093
151.69529113680466
151.9014669492764
152.17971815250573
152.18585166891307
152.27765175410053
152.34777275098315
152.37092133552616
152.6233030939814
152.63402916560307
153.99283728078956
154.2856398984668
156.86766531854556
157.92622195336924
157.97985968493074
158.15180360850042
158.35742169003018
158.4684142323167
158.60824896552404
159.1263511281947
159.91464928155017
159.96656018980548
160.34086322379517
160.43353498950367
160.60390674601769
160.61051583052202
160.6262134883267
161.24456296064503
163.24351947163012
163.32680106741353
163.55652093096754
164.60952193324218
165.03222600910493
165.32848675393495
165.47892692260166
168.49244730866505
169.38928369498265
171.41453572615285
172.4828195606785
174.58006019096402
175.10878039869053
175.1634677053141
175.29256426910095
176.28913466901997
177.09695754000595
178.6735230359748
179.10626510940492
180.46419721417433
180.52649689285144
180.90386806474137
181.16347115679568
181.18715590012692
181.20662815525372
184.0068503045466
186.0091022479917
187.2576699683419
187.91455442709437
188.0927856268052

Average distances to the kth nearest neighbor within Test set:
67.48349859934414
68.29557741475595
72.22843962173512
104.03484889779469
112.04205163102527
112.74042332852878
113.27531713008952
113.98371041096284
113.99429490191291
114.34598687150277
114.71942336286648
124.45719792854683
124.51656742204933
124.57841291985072
124.58855052527836
126.30370714920402
129.07217406120037
129.10607830265906
129.10858784407543
134.41346864023828
134.7666650598443
142.34460046677722
142.3479755621279
145.25600595868275
145.26067703293685
146.69399398938725
146.6996478636797
149.67540909701825
149.6794728767388
150.24800832235303
150.265165844325
150.60757640203929
150.62109373009312
150.6298609741757
151.20988077021102
152.8923573085401
153.7826776090815
154.29004819770657
154.3267116374467
154.46623280770245
154.486036890369
154.49374318236462
154.49619373670637
154.49874943843656
154.50072564804807
154.83825298946365
155.95248594372302
155.95705241004922
156.0622146247648
156.3690978529528
157.36167231415345
167.4245414112665
167.6094022474619
167.61376878864024
167.61670325802106
167.62075015238025
167.6259170225144
167.63176973490764
168.1000612132818
168.10480579559666
168.51968485576393
169.87797915067003
169.9332243561602
169.94146834245512
170.17049119141438
170.18364927238946
171.3753945860582
171.37938548100914
171.38180082487435
171.38390183158404
171.39390029235418
171.4380403026038
171.58751038653472
171.67093154137524
171.78093985256427
171.93343700041362
171.9370851050739
171.94212694320134
172.2170260549665
172.59360361454557
173.1745926036677
173.1864892532681
173.19329008377824
173.35428889680344
174.8179554868058
175.38529319844446
176.54177929782253
176.66143842414328
176.83886509884292
176.9651194395228
178.24096997870666
178.24802000481753
178.25800088085165
178.90872385416603
178.97681948126979
179.95464129381543
180.02790847551927
180.0316031282221
180.03762199561052
180.18492286970712
180.20515585775064
180.2224844710855
180.57976679144733
180.59433942232513
180.67102432026033
181.28332494157445
182.8631913341396
182.8695459704349
183.81922887721072
184.38191847054884
184.38449616175282
184.6400511729464
184.6854107324474
184.68877617919642
184.7008358501056
185.40752880649717
185.42068483916464
185.5774294844748
185.60844747021372
187.37076092405457
187.7066923366641
187.70769270278265
187.71739275956742
187.72665576316362
187.73179249849755
188.03838688753137
188.044523449304
188.58062486000696
190.9885969379623
190.99468838572338
192.60817045784685
192.61269069372693
193.64179149589526
193.8288000963819
194.59103565402285
195.11260826923592
197.40302589780896
197.4119226320295
197.4885553183506
198.07614995035252
198.8394059181781
202.20020262575903
203.5044306978465
203.50729058655193
203.8625476764717
204.95785460360233
205.3870692654418
207.26231432870455
208.34529265618775
208.4286704358338
210.71223843598082
211.18837204547523
215.73223390679453
217.0596573845508
218.30880832798894
218.70367087547635
219.1414478846648
219.1453800751183
219.239221851651
219.24238118019161
219.25070747967644
219.25464842092174
219.26221099694177
219.26579779214916
219.27371232963554
219.70515284986337
220.39860611130317
220.40058200831928
220.65735290064939
220.65963256510335
221.5952523955999
221.59653617643332
221.59921149893376
221.60126702169123
221.73132732060353
223.75267750629047
225.29853888718597
225.31022961959508
225.3477437282268
226.0814921153164
226.15650058081616
226.34953451683052
226.3797740871784
226.87132118462185
227.87455330637377
228.23068260614173
229.6414397982107
230.07357070759076
230.07674156530172
230.2983787411984
231.3895326859448
231.4683402874315
231.47677343784343
231.6845633602219
232.09148674229954
233.2267517614495
234.4545731922048
235.59745578431622
236.2960796128928
236.30324616421873

AUC on kNN classifier for k=1 to 100:
0.6039236479321315
0.6447507953340403
0.5989749027925062
0.6207140332272888
0.5047720042417816
0.6230116648992577
0.5977377165075999
0.528808766348533
0.5364086249558148
0.5143160127253447
0.5005302226935313
0.4517497348886532
0.4718981972428421
0.4718981972428421
0.4646518204312478
0.5031813361611878
0.5031813361611878
0.5031813361611878
0.4791445740544362
0.4791445740544362
0.4791445740544362
0.48639095086603046
0.4791445740544362
0.4791445740544362
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.4646518204312478
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.36320254506892896
0.36320254506892896
0.3780487804878049
0.34146341463414637
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.397136797454931
0.397136797454931
0.397136797454931
0.397136797454931
0.3780487804878049
0.3022269353128314
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.3780487804878049
0.4646518204312478
0.45775892541534113
0.45775892541534113
0.4505125486037469
0.4505125486037469
0.4505125486037469
0.4505125486037469
0.3780487804878049
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.5141392718275009
0.5141392718275009
0.5141392718275009
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.40438317426652526
0.3921880523153058
0.3921880523153058
0.3921880523153058
0.4024390243902439
0.3780487804878049
0.45121951219512196
0.45121951219512196
----- Evaluating classifiers for Triangle data -----

LogisticRegression(C=1.0, class_weight=None, dual=False, fit_intercept=True,
          intercept_scaling=1, max_iter=100, multi_class='warn',
          n_jobs=None, penalty='l2', random_state=0, solver='warn',
          tol=0.0001, verbose=0, warm_start=False)

accuracy:0.5909090909090909
auc:0.6244255920820078
mcc:0.24561669283120216
              precision    recall  f1-score   support

       False       0.77      0.49      0.60        69
        True       0.47      0.76      0.58        41

   micro avg       0.59      0.59      0.59       110
   macro avg       0.62      0.62      0.59       110
weighted avg       0.66      0.59      0.59       110

TN: 34
FN: 10
TP: 31
FP: 35

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')

accuracy:0.7090909090909091
auc:0.6592435489572287
mcc:0.34951579668623955
              precision    recall  f1-score   support

       False       0.73      0.86      0.79        69
        True       0.66      0.46      0.54        41

   micro avg       0.71      0.71      0.71       110
   macro avg       0.69      0.66      0.66       110
weighted avg       0.70      0.71      0.70       110

TN: 59
FN: 22
TP: 19
FP: 10

KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

accuracy:0.7909090909090909
auc:0.8036408624955814
mcc:0.5881539487965878
              precision    recall  f1-score   support

       False       0.90      0.75      0.82        69
        True       0.67      0.85      0.75        41

   micro avg       0.79      0.79      0.79       110
   macro avg       0.78      0.80      0.79       110
weighted avg       0.81      0.79      0.79       110

TN: 52
FN: 6
TP: 35
FP: 17

SVC(C=100, cache_size=10000, class_weight=None, coef0=0.0,
  decision_function_shape='ovr', degree=3, gamma='auto_deprecated',
  kernel='linear', max_iter=-1, probability=False, random_state=0,
  shrinking=True, tol=0.5, verbose=False)

accuracy:0.509090909090909
auc:0.5344644750795334
mcc:0.0677883717457337
              precision    recall  f1-score   support

       False       0.67      0.43      0.53        69
        True       0.40      0.63      0.49        41

   micro avg       0.51      0.51      0.51       110
   macro avg       0.53      0.53      0.51       110
weighted avg       0.57      0.51      0.51       110

TN: 30
FN: 15
TP: 26
FP: 39

DecisionTreeClassifier(class_weight=None, criterion='gini', max_depth=None,
            max_features=None, max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, presort=False, random_state=0,
            splitter='best')

accuracy:0.4818181818181818
auc:0.4929303640862496
mcc:-0.013730390539481331
              precision    recall  f1-score   support

       False       0.62      0.45      0.52        69
        True       0.37      0.54      0.44        41

   micro avg       0.48      0.48      0.48       110
   macro avg       0.49      0.49      0.48       110
weighted avg       0.53      0.48      0.49       110

TN: 31
FN: 19
TP: 22
FP: 38

RandomForestClassifier(bootstrap=True, class_weight=None, criterion='gini',
            max_depth=None, max_features='auto', max_leaf_nodes=None,
            min_impurity_decrease=0.0, min_impurity_split=None,
            min_samples_leaf=1, min_samples_split=2,
            min_weight_fraction_leaf=0.0, n_estimators=100, n_jobs=None,
            oob_score=False, random_state=0, verbose=0, warm_start=False)

accuracy:0.4909090909090909
auc:0.48533050547896783
mcc:-0.02839136388693326
              precision    recall  f1-score   support

       False       0.61      0.51      0.56        69
        True       0.36      0.46      0.40        41

   micro avg       0.49      0.49      0.49       110
   macro avg       0.49      0.49      0.48       110
weighted avg       0.52      0.49      0.50       110

TN: 35
FN: 22
TP: 19
FP: 34

GaussianNB(priors=None, var_smoothing=1e-09)

accuracy:0.5727272727272728
auc:0.5802403676210676
mcc:0.15522028828990755
              precision    recall  f1-score   support

       False       0.70      0.55      0.62        69
        True       0.45      0.61      0.52        41

   micro avg       0.57      0.57      0.57       110
   macro avg       0.58      0.58      0.57       110
weighted avg       0.61      0.57      0.58       110

TN: 38
FN: 16
TP: 25
FP: 31
------ Nearest Neighbor evaluation for Triangle data -----
Average distances to the kth nearest neighbor within training set:
0.0
0.6557730681658368
1.0891247307379806
1.496140990935146
1.8382817020986688
2.2589996708614164
2.628778615011199
3.1209424683458
3.614637313406606
4.272528879185275
85.93775708399828
85.9434105852044
85.95234856515451
85.95995605478002
85.97172094946215
85.98612668057704
86.003093592687
86.02639532685869
86.05943853253534
86.10604688346106
116.26657837542207
116.2711799436216
116.27557031479182
116.28341287322657
116.29255618327488
116.30175871705846
116.31434570021337
116.33478047505082
116.35646541120448
116.38912380803998
150.62474278411037
150.62831174615528
150.6327057174639
150.63981518845762
150.64574550007507
150.6533536044852
150.66134267920233
150.67464367885293
150.69402408564815
150.7170636915161
160.0520018120411
160.05516570828797
160.05969237972351
160.0647561133507
160.07071878929347
160.0793880983108
160.08832667819343
160.099952167829
160.1164331313372
160.13851916770872
171.3461348948219
171.34881930510906
171.3529050159162
171.3576555493133
171.36301876109968
171.37051990754293
171.37961977284542
171.39075042203334
171.41069347974403
171.43009846876294
188.97178516064938
188.97434389091356
188.9773051624284
188.9817440172292
188.98863270120341
188.99455738322663
189.00306535030964
189.01412237682766
189.02820979535514
189.0576609207331
198.5936768042991
198.5962986084777
198.59963836383506
198.60402666252963
198.60921325942272
198.61389357913754
198.6216101817944
198.6310753026718
198.64700486332555
198.67204547885842
205.62941682387225
205.63225690255348
205.6357029037871
205.6401069174149
205.64513650347087
205.64900097274682
205.65601330133717
205.66460194444207
205.67778459493513
205.6966003414508
216.15374076022894
216.15609866039497
216.15920576027077
216.16261410248305
216.16776216498013
216.1737850287952
216.18156651795803
216.19170963905333
216.20465642491402
216.22191039191742
230.1989936304451
230.2007885484841
230.2035311841614
230.20746003219628
230.21213430957042
230.21696190990494
230.22435883764783
230.2359632818144
230.24832263230252
230.26215554552977
239.77628178751812
239.77843957839474
239.78120490294432
239.78477552731147
239.7893795277959
239.7944313519261
239.80120970929175
239.8090479088222
239.8202581465557
239.83756532667607
245.71701476402586
245.71926757604288
245.72198767884717
245.72600094965287
245.72915264412097
245.7336769388867
245.74023102398232
245.74899790619182
245.7610973153408
245.77454510844444
252.93878409170586
252.94133230622322
252.9442354688092
252.94782346216397
252.95114156583585
252.9563989719288
252.96181343670472
252.9697094155907
252.97766047488233
252.9914353732577
259.9802884053774
259.9818426475178
259.98410711376977
259.9878037078872
259.9910757846337
259.9949338551861
260.0007262582721
260.00984842121267
260.018024422181
260.02576561506686
268.5906122554522
268.59251454816456
268.5949447292592
268.59791935869845
268.6009629011333
268.60453096400437
268.60897264325763
268.61721311564423
268.6244549453418
268.63604044788934
276.84528628400255
276.84702296011733
276.84891009599653
276.8515572618804
276.85512337433306
276.85815659172357
276.86301904702833
276.8703682312187
276.8767811464353
276.88994386295553
285.0664507795424
285.0680665103964
285.0703069599147
285.0729753976969
285.07562890436685
285.07926959123404
285.08387324814254
285.09318309946576
285.10211778368154
285.11135856477637
300.5847536131564
300.5863866109853
300.5881826678135
300.5907204134252
300.59345041678876
300.5956890254565
300.5999707199307
300.60615287745696
300.6143945569254
300.6264349129453
309.5448000718348
309.5464732685015
309.54859509853065
309.55079804977385
309.55337604326814
309.5568402748526
309.56028340637454
309.56634502179537
309.57556112591647
309.5880778672573

Average distances to the kth nearest neighbor within Test set:
67.3926335985503
67.40179976537065
67.41038015243792
67.42360116169093
67.44345634727202
67.45921527406463
67.48115671523533
67.50854335335465
67.54541632483308
67.60316836227743
109.652553447629
109.65841004142992
109.66968500367811
109.67650584528674
109.68380368760599
109.69467069411704
109.70799263600841
109.72575624162853
109.75141300092778
109.78315938586552
121.91236224349043
121.91664146888375
121.9233252290112
121.93400541532753
121.94108049080259
121.95292149532848
121.96771372153731
121.98148678271475
122.00621810106404
122.03112092864544
139.25171760797852
139.2555875917365
139.2606966237158
139.26763080613296
139.27629024586147
139.28388387390984
139.2992967342685
139.31148621051364
139.33196641642058
139.35632312581157
149.52482313632646
149.52869836354716
149.53502979090956
149.54157280104883
149.54922401643364
149.55623268774002
149.56811923200092
149.5793810393462
149.60376043937416
149.6292943444508
157.70516514831556
157.71066737765548
157.71537253877383
157.721922954756
157.72839492054825
157.73581763186513
157.74051093063295
157.75137106043326
157.76668563405025
157.79020410146185
168.88336490128333
168.8876235667966
168.89164714696494
168.89853505719026
168.90539848003192
168.90848144756333
168.91451778244164
168.92679449454866
168.9408654810338
168.966791117209
174.6590922422411
174.66285677180184
174.66700565939868
174.67033995869923
174.6758063482071
174.68375897900825
174.69662050829777
174.70625255181983
174.7201840836752
174.73609538186597
180.41455499379143
180.41754194424544
180.42143731511135
180.42487214146644
180.4316094629443
180.4357058312919
180.44443054909755
180.45518599709024
180.4674144095718
180.48618541029782
184.14971221070076
184.1535502379489
184.15971391982552
184.16570021827985
184.1705041277303
184.17704637963513
184.182877652845
184.19239941197924
184.20659964635698
184.21891181689094
197.51377526099952
197.51610247144663
197.52001582648094
197.5267244373361
197.53111686504926
197.53644868678822
197.54444571360764
197.55374792772693
197.5712091050165
197.583020696506
204.87548227394257
204.8780361262939
204.88146540969427
204.88725437958243
204.89329833304598
204.89682085408296
204.90521894634946
204.91690505173466
204.92300128592615
204.94294945115715
212.65595575117777
212.6580482281611
212.66126668867193
212.66686782527427
212.67024994491132
212.67736663100808
212.68474230592918
212.69902051629873
212.70929679941077
212.72097586373593
218.01222716283897
218.01448781138816
218.01735218727453
218.02224094586975
218.0264889457312
218.03693428366233
218.04727008978264
218.0625458184628
218.07395292403973
218.08132483771678
222.91237583994257
222.91443782337427
222.9180639322112
222.92123604951001
222.92618384930032
222.9342370946008
222.93894772427385
222.9449323757049
222.9555059903451
222.96590907242071
231.78665004494405
231.78928043701868
231.79283878726926
231.79638684587394
231.80093646121617
231.80567136765296
231.811063129107
231.82118409143663
231.8353611833172
231.8505403165664
237.35988923672147
237.36306108720697
237.3662431432417
237.37022562195503
237.37437852686128
237.37659859355435
237.3823086293481
237.38853983559304
237.39789938384246
237.41356381450615
244.73909613268938
244.74163561397114
244.7446084492058
244.74874965651125
244.75338386843788
244.75692643791083
244.76160901715286
244.77134460650768
244.7805969019625
244.79281736298063
266.2962385761366
266.2984352709598
266.30135204477915
266.30393590054877
266.3079956531946
266.31140314331907
266.3158458090209
266.3235235081196
266.3343679927532
266.3482900157639
277.18545268247334
277.18753658169
277.189441073878
277.19226458230287
277.1954766351455
277.2001041777189
277.20437172970736
277.210986595062
277.22074834675607
277.2348409966553

AUC on kNN classifier for k=1 to 100:
0.7255213856486391
0.6592435489572287
0.7476139978791092
0.7788971367974549
0.8036408624955814
0.727819017320608
0.706433368681513
0.7347119123365148
0.6912336514669495
0.6325556733828208
0.6618946624248851
0.6859314245316367
0.6329091551785084
0.6687875574407918
0.6470484270060092
0.5860728172499117
0.5982679392011312
0.5860728172499117
0.6104630611523506
0.5689289501590667
0.5738776952986921
0.5616825733474726
0.5860728172499117
0.46412159773771655
0.525097207493814
0.5491339696005655
0.525097207493814
0.5418875927889714
0.5418875927889714
0.5247437256981266
0.5491339696005655
0.536938847649346
0.5273948391657829
0.5030045952633441
0.4957582184517498
0.5102509720749382
0.5422410745846589
0.5178508306822198
0.5326970661010958
0.5494874513962531
0.5060091905266879
0.5349946977730646
0.5205019441498763
0.5712265818310357
0.5933191940615059
0.5712265818310357
0.6200070696359138
0.6200070696359138
0.6325556733828208
0.5247437256981266
0.536938847649346
0.5247437256981266
0.5247437256981266
0.5
0.47101449275362317
0.4855072463768116
0.47101449275362317
0.5
0.5
0.5
0.5
0.5
0.4782608695652174
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.47101449275362317
0.5
0.427536231884058
0.427536231884058
0.427536231884058
0.4420289855072464
0.43478260869565216
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
----- Human feature set:Variance  num features:71 -----
----- Triangle feature set:Variance  num features:70 -----

----- Summarized results: MCC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,-0.1475063891239977,0.31115231424681816,0.009235744878881904,0.00869081689047868,0.14854768604457375,0.07601015724597174,0.1611859546704764,
Triangle,0.24561669283120216,0.34951579668623955,0.5881539487965878,0.0677883717457337,-0.013730390539481331,-0.02839136388693326,0.15522028828990755,

Maximum Human MCC:0.31115231424681816
Maximum Triangle MCC:0.5881539487965878

----- Summarized results: Accuracy ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.44545454545454544,0.6909090909090909,0.509090909090909,0.5272727272727272,0.509090909090909,0.5636363636363636,0.6272727272727273,
Triangle,0.5909090909090909,0.7090909090909091,0.7909090909090909,0.509090909090909,0.4818181818181818,0.4909090909090909,0.5727272727272728,

Maximum Human Accuracy:0.6909090909090909
Maximum Triangle Accuracy:0.7909090909090909

----- Summarized results: AUC ------
Classifiers,Logistic Regression,k Nearest Neighbors (k=2),k Nearest Neighbors (k=5),Linear SVM (C=1),Decision Tree,Random Forest,Naive Bayes,
Human,0.42435489572287033,0.6447507953340403,0.5047720042417816,0.504418522446094,0.5691056910569106,0.5383527748320961,0.5742311770943797,
Triangle,0.6244255920820078,0.6592435489572287,0.8036408624955814,0.5344644750795334,0.4929303640862496,0.48533050547896783,0.5802403676210676,

Maximum Human AUC:0.6447507953340403
Maximum Triangle AUC:0.8036408624955814
------------------------------------------

resulting saved human model (all features):
KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=2, p=2,
           weights='uniform')
resulting saved triangle model (all features):
KNeighborsClassifier(algorithm='auto', leaf_size=30, metric='euclidean',
           metric_params=None, n_jobs=None, n_neighbors=5, p=2,
           weights='uniform')

Human prediction counts: True: 29  False: 81
Triangle prediction counts: True: 52  False: 58
processing file:borates_recalc_20190419/test_amine_1_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 4265  False: 5735
Triangle prediction counts: True: 6205  False: 3795
processing file:borates_recalc_20190419/test_amine_2_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 1633  False: 8367
Triangle prediction counts: True: 6609  False: 3391
processing file:borates_recalc_20190419/test_amine_3_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 3522  False: 6478
Triangle prediction counts: True: 2820  False: 7180
processing file:borates_recalc_20190419/test_amine_4_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 5060  False: 4940
Triangle prediction counts: True: 5538  False: 4462
processing file:borates_recalc_20190419/test_amine_5_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 1487  False: 8513
Triangle prediction counts: True: 4891  False: 5109
processing file:borates_recalc_20190419/test_amine_6_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 0  False: 10000
Triangle prediction counts: True: 0  False: 10000
processing file:borates_recalc_20190419/test_amine_7_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 2181  False: 7819
Triangle prediction counts: True: 5269  False: 4731
processing file:borates_recalc_20190419/test_amine_8_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 0  False: 10000
Triangle prediction counts: True: 0  False: 10000
processing file:borates_recalc_20190419/test_amine_9_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 6627  False: 3373
Triangle prediction counts: True: 10000  False: 0
processing file:borates_recalc_20190419/test_amine_10_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 8052  False: 1948
Triangle prediction counts: True: 10000  False: 0
processing file:borates_recalc_20190419/test_amine_11_20190419.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:10000
Human prediction counts: True: 0  False: 10000
Triangle prediction counts: True: 0  False: 10000
processing file:lab_tests.csv
Number of dropped NaN items from Lab Test:0
Num Items in Lab Test:100
Human prediction counts: True: 10  False: 90
Triangle prediction counts: True: 55  False: 45
