# Investigation File generated for Scientific Data with Investigation File Authoring Tool version 0.1.0 on 01/02/2016 - This metadata file is CC0
ONTOLOGY SOURCE REFERENCE
Term Source Name	ERO	NCIT	BAO	MS	OBI
Term Source File	http://data.bioontology.org/ontologies/ERO	http://data.bioontology.org/ontologies/NCIT	http://data.bioontology.org/ontologies/BAO	http://data.bioontology.org/ontologies/MS	http://data.bioontology.org/ontologies/OBI
Term Source Version	2013-08-02	15.05d	2.0	3.80.0	2014-08-18
Term Source Description	Eagle-I Research Resource Ontology	National Cancer Institute Thesaurus	BioAssay Ontology	Mass Spectrometry Ontology	Ontology for Biomedical Investigations
INVESTIGATION
Investigation Identifier
Investigation Title
Investigation Description
Investigation Submission Date
Investigation Public Release Date
INVESTIGATION PUBLICATIONS
Investigation PubMed ID
Investigation Publication DOI
Investigation Publication Author List
Investigation Publication Title
Investigation Publication Status
Investigation Publication Status Term Accession Number
Investigation Publication Status Term Source REF
INVESTIGATION CONTACTS
Investigation Person Last Name
Investigation Person Mid Initials
Investigation Person First Name
Investigation Person Address
Investigation Person Phone
Investigation Person Fax
Investigation Person Email
Investigation Person Affiliation
Investigation Person Roles
Investigation Person Roles Term Accession Number
Investigation Person Roles Term Source REF
STUDY
Study Identifier	10.1038/sdata.2016.12
Study Title	A polymer dataset for accelerated property prediction and design
Study Submission Date	25/09/2015
Study Public Release Date	01/03/2016
Study Description	http://www.nature.com/articles/sdata201612#abstract
Study File Name	s_study_Huan.txt
Comment[Subject Keywords]	///;///;///;///
Comment[Manuscript Licence]	CC BY-4.0
Comment[Experimental Metadata Licence]	CC0
Comment[Supplementary Information File Name]	
Comment[Supplementary Information File Type]	x-zip-compressed
Comment[Supplementary Information File URL]	http://www.nature.com/articles/sdata201612#supplementary-information
Comment[Data Repository]	Dryad Digital Repository;NoMaD Repository
Comment[Data Record Accession]	doi:10.5061/dryad.5ht3n;doi:10.17172/NOMAD/2016.01.27-1
Comment[Data Record URI]	http://dx.doi.org/10.5061/dryad.5ht3n;http://dx.doi.org/10.17172/NOMAD/2016.01.27-1
STUDY DESIGN DESCRIPTORS
Study Design Type	database creation objective	Polymer Chemistry	3D structure prediction
Study Design Type Term Accession Number	http://www.ebi.ac.uk/efo/swo/SWO_0000509	NCIT:C18948	BAO:0002216
Study Design Type Term Source REF	ERO	NCIT	BAO
STUDY PUBLICATIONS
Study PubMed ID	""	""
Study Publication DOI	doi:10.1103/PhysRevB.92.014106	doi:10.1038/srep20952
Study Publication Author List	""	""
Study Publication Title	""	""
Study Publication Status	published	published
Study Publication Status Term Accession Number		
Study Publication Status Term Source REF		
STUDY FACTORS
Study Factor Name	material type
Study Factor Type	chemical compound
Study Factor Type Term Accession Number	MS:1000881
Study Factor Type Term Source REF	MS
STUDY ASSAYS
Study Assay Measurement Type	material properties
Study Assay Measurement Type Term Accession Number	""
Study Assay Measurement Type Term Source REF	""
Study Assay Technology Type	computational modeling technique
Study Assay Technology Type Term Accession Number	ERO:0001251
Study Assay Technology Type Term Source REF	ERO
Study Assay Technology Platform	""
Study Assay File Name	a_assay_Huan.txt
STUDY PROTOCOLS
Study Protocol Name	Workflow	Structure accumulation	Numerical calculations	Post-filtering
Study Protocol Type	selection	data item extraction from journal article	data transformation	database filtering
Study Protocol Type Term Accession Number	OBI:0001928	IAO:0000443	OBI:0200000	BAO:0002255
Study Protocol Type Term Source REF	OBI	OBI	OBI	BAO
Study Protocol Description				
Study Protocol URI	""	""	""	""
Study Protocol Version				
Study Protocol Parameters Name	""	""	""	""
Study Protocol Parameters Name Term Accession Number	""	""	""	""
Study Protocol Parameters Name Term Source REF	""	""	""	""
Study Protocol Components Name	""	""	""	""
Study Protocol Components Type	""	""	""	""
Study Protocol Components Type Term Accession Number	""	""	""	""
Study Protocol Components Type Term Source REF	""	""	""	""
STUDY CONTACTS
Study Person Last Name	Huan	Mannodi-Kanakkithodi	Kim	Sharma	Pilania	Ramprasad
Study Person First Name	Tran Doan	Arun	Chiho	Vinit	Ghanshyam	Rampi
Study Person Mid Initials						
Study Person Email	""	""	""	""	""	rampi.ramprasad@uconn.edu
Study Person Phone						
Study Person Fax						
Study Person Address						
Study Person Affiliation	Institute of Materials Science, University of Connecticut, 97 North Eagleville Rd., Unit 3136, Storrs, Connecticut 06269, USA	Institute of Materials Science, University of Connecticut, 97 North Eagleville Rd., Unit 3136, Storrs, Connecticut 06269, USA	Institute of Materials Science, University of Connecticut, 97 North Eagleville Rd., Unit 3136, Storrs, Connecticut 06269, USA	Institute of Materials Science, University of Connecticut, 97 North Eagleville Rd., Unit 3136, Storrs, Connecticut 06269, USA	Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, 87545, New Mexico  USA	Institute of Materials Science, University of Connecticut, 97 North Eagleville Rd., Unit 3136, Storrs, Connecticut 06269, USA
Study Person Roles						
Study Person Roles Term Accession Number						
Study Person Roles Term Source REF						
Comment[Study Person ORCID]	0000-0002-8093-9426					
Comment[Funder]						
Comment[FundRef ID]						
Comment[Funder Term Source REF]						
Comment[Grant Identifier]						
