{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T17:51:03Z","timestamp":1778867463203,"version":"3.51.4"},"reference-count":48,"publisher":"Oxford University Press (OUP)","issue":"D1","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nucleic Acids Res"],"published-print":{"date-parts":[[2016,1,4]]},"DOI":"10.1093\/nar\/gkv951","type":"journal-article","created":{"date-parts":[[2015,9,23]],"date-time":"2015-09-23T20:08:43Z","timestamp":1443038923000},"page":"D1202-D1213","source":"Crossref","is-referenced-by-count":4589,"title":["PubChem Substance and Compound databases"],"prefix":"10.1093","volume":"44","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9828-2074","authenticated-orcid":false,"given":"Sunghwan","family":"Kim","sequence":"first","affiliation":[]},{"given":"Paul A.","family":"Thiessen","sequence":"additional","affiliation":[]},{"given":"Evan E.","family":"Bolton","sequence":"additional","affiliation":[]},{"given":"Jie","family":"Chen","sequence":"additional","affiliation":[]},{"given":"Gang","family":"Fu","sequence":"additional","affiliation":[]},{"given":"Asta","family":"Gindulyte","sequence":"additional","affiliation":[]},{"given":"Lianyi","family":"Han","sequence":"additional","affiliation":[]},{"given":"Jane","family":"He","sequence":"additional","affiliation":[]},{"given":"Siqian","family":"He","sequence":"additional","affiliation":[]},{"given":"Benjamin A.","family":"Shoemaker","sequence":"additional","affiliation":[]},{"given":"Jiyao","family":"Wang","sequence":"additional","affiliation":[]},{"given":"Bo","family":"Yu","sequence":"additional","affiliation":[]},{"given":"Jian","family":"Zhang","sequence":"additional","affiliation":[]},{"given":"Stephen H.","family":"Bryant","sequence":"additional","affiliation":[]}],"member":"286","published-online":{"date-parts":[[2015,9,22]]},"reference":[{"key":"2016021418573735000_44.D1.D1202.1","doi-asserted-by":"publisher","DOI":"10.1016\/S1574-1400(08)00012-1"},{"key":"2016021418573735000_44.D1.D1202.2","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkp456"},{"key":"2016021418573735000_44.D1.D1202.3","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkp965"},{"key":"2016021418573735000_44.D1.D1202.4","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr1132"},{"key":"2016021418573735000_44.D1.D1202.5","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt978"},{"key":"2016021418573735000_44.D1.D1202.6","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gku1130"},{"key":"2016021418573735000_44.D1.D1202.7","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1031"},{"key":"2016021418573735000_44.D1.D1202.8","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkl999"},{"key":"2016021418573735000_44.D1.D1202.9","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1068"},{"key":"2016021418573735000_44.D1.D1202.10","doi-asserted-by":"publisher","DOI":"10.1016\/j.tox.2014.09.003"},{"key":"2016021418573735000_44.D1.D1202.11","doi-asserted-by":"publisher","DOI":"10.1021\/ci00007a012"},{"key":"2016021418573735000_44.D1.D1202.12","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"2016021418573735000_44.D1.D1202.13","doi-asserted-by":"publisher","DOI":"10.1021\/ci00062a008"},{"key":"2016021418573735000_44.D1.D1202.14","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1021\/ci00067a005","article-title":"SMILES. 3. Depict - graphical depiction of chemical structures","volume":"30","author":"Weininger","year":"1990","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"2016021418573735000_44.D1.D1202.15","first-page":"12","article-title":"The IUPAC International Chemical Identifier: InChI \u2014 A New Standard for Molecular Informatics","volume":"28","author":"McNaught","year":"2006","journal-title":"Chem. Int."},{"key":"2016021418573735000_44.D1.D1202.16","first-page":"14","article-title":"Using InChI","volume":"28","author":"Frey","year":"2006","journal-title":"Chem. Int."},{"key":"2016021418573735000_44.D1.D1202.17","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-5-7"},{"key":"2016021418573735000_44.D1.D1202.18","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0068-4"},{"key":"2016021418573735000_44.D1.D1202.19","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540150802"},{"key":"2016021418573735000_44.D1.D1202.20","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1021\/ci00017a013","article-title":"Computation and management of chemical-properties in cactvs - an extensible networked approach toward modularity and compatibility","volume":"34","author":"Ihlenfeldt","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"2016021418573735000_44.D1.D1202.21","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv396"},{"key":"2016021418573735000_44.D1.D1202.22","doi-asserted-by":"crossref","first-page":"155","DOI":"10.2174\/1386207024607338","article-title":"Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings","volume":"5","author":"Holliday","year":"2002","journal-title":"Comb. Chem. High Throughput Screen"},{"key":"2016021418573735000_44.D1.D1202.23","doi-asserted-by":"publisher","DOI":"10.1021\/ci025531g"},{"key":"2016021418573735000_44.D1.D1202.24","doi-asserted-by":"publisher","DOI":"10.1021\/ci034001x"},{"key":"2016021418573735000_44.D1.D1202.25","doi-asserted-by":"publisher","DOI":"10.1021\/j100011a016"},{"key":"2016021418573735000_44.D1.D1202.26","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K"},{"key":"2016021418573735000_44.D1.D1202.27","doi-asserted-by":"publisher","DOI":"10.1021\/jp953707u"},{"key":"2016021418573735000_44.D1.D1202.28","doi-asserted-by":"crossref","unstructured":"Grant J.A. Pickup B.T. Gaussian shape methods. In: van\u00a0Gunsteren WF Weiner PK Wilkinson AJ , editors. Computer Simulation of Biomolecular Systems. Dordrecht: Kluwer Academic Publishers; 1997. p. 150-176.","DOI":"10.1007\/978-94-017-1120-3_5"},{"key":"2016021418573735000_44.D1.D1202.29","doi-asserted-by":"publisher","DOI":"10.1021\/jm0603365"},{"key":"2016021418573735000_44.D1.D1202.30","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-1-9"},{"key":"2016021418573735000_44.D1.D1202.31","doi-asserted-by":"publisher","DOI":"10.1016\/S0076-6879(96)66012-1"},{"key":"2016021418573735000_44.D1.D1202.32","doi-asserted-by":"publisher","DOI":"10.1016\/S0168-9525(97)01325-5"},{"key":"2016021418573735000_44.D1.D1202.33","doi-asserted-by":"crossref","unstructured":"Fielding R.T. Taylor R.N. Proceedings of the 22nd international conference on Software engineering. Limerick; 2000. Principled design of the modern Web architecture. p. 407-416.","DOI":"10.1145\/337180.337228"},{"key":"2016021418573735000_44.D1.D1202.34","unstructured":"Fielding R.T. Architectural Styles and the Design of Network-based Software Architectures. Irvine: University of California; 2000. Representational State Transfer (REST)."},{"key":"2016021418573735000_44.D1.D1202.35","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0084-4"},{"key":"2016021418573735000_44.D1.D1202.36","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btt765"},{"key":"2016021418573735000_44.D1.D1202.37","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr811"},{"key":"2016021418573735000_44.D1.D1202.38","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-5-12"},{"key":"2016021418573735000_44.D1.D1202.39","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1007\/978-3-319-11964-9_4","article-title":"Introducing Wikidata to the Linked Data Web","volume-title":"The Semantic Web \u2013 ISWC 2014","volume":"8796","author":"Erxleben","year":"2014"},{"key":"2016021418573735000_44.D1.D1202.40","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-4"},{"key":"2016021418573735000_44.D1.D1202.41","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-9"},{"key":"2016021418573735000_44.D1.D1202.42","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-13"},{"key":"2016021418573735000_44.D1.D1202.43","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-25"},{"key":"2016021418573735000_44.D1.D1202.44","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-26"},{"key":"2016021418573735000_44.D1.D1202.45","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-32"},{"key":"2016021418573735000_44.D1.D1202.46","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-28"},{"key":"2016021418573735000_44.D1.D1202.47","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-5-1"},{"key":"2016021418573735000_44.D1.D1202.48","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0070-x"}],"container-title":["Nucleic Acids Research"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/academic.oup.com\/nar\/article-pdf\/44\/D1\/D1202\/9484096\/gkv951.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,8,30]],"date-time":"2019-08-30T18:39:51Z","timestamp":1567190391000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/nar\/article-lookup\/doi\/10.1093\/nar\/gkv951"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,9,22]]},"references-count":48,"journal-issue":{"issue":"D1","published-online":{"date-parts":[[2016,1,3]]},"published-print":{"date-parts":[[2016,1,4]]}},"alternative-id":["10.1093\/nar\/gkv951"],"URL":"https:\/\/doi.org\/10.1093\/nar\/gkv951","relation":{},"ISSN":["0305-1048","1362-4962"],"issn-type":[{"value":"0305-1048","type":"print"},{"value":"1362-4962","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,9,22]]}}}