{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T06:18:05Z","timestamp":1792822685873,"version":"4.5.0"},"reference-count":62,"publisher":"American Chemical Society (ACS)","issue":"1","license":[{"start":{"date-parts":[[2020,12,31]],"date-time":"2020-12-31T00:00:00Z","timestamp":1609372800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,12,31]],"date-time":"2020-12-31T00:00:00Z","timestamp":1609372800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,12,31]],"date-time":"2020-12-31T00:00:00Z","timestamp":1609372800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100005739","name":"Universidad Nacional Aut??noma de M??xico","doi-asserted-by":"publisher","award":["PAIP 5000-9163"],"award-info":[{"award-number":["PAIP 5000-9163"]}],"id":[{"id":"10.13039\/501100005739","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003141","name":"Consejo Nacional de Ciencia y Tecnolog??a","doi-asserted-by":"publisher","award":["762342"],"award-info":[{"award-number":["762342"]}],"id":[{"id":"10.13039\/501100003141","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2021,1,25]]},"DOI":"10.1021\/acs.jcim.0c01301","type":"journal-article","created":{"date-parts":[[2020,12,31]],"date-time":"2020-12-31T21:14:14Z","timestamp":1609449254000},"page":"26-35","source":"Crossref","is-referenced-by-count":73,"title":["Informatics for Chemistry, Biology, and Biomedical Sciences"],"prefix":"10.1021","volume":"61","author":[{"given":"Edgar","family":"L\u00f3pez-L\u00f3pez","sequence":"first","affiliation":[{"name":"Department of Pharmacology, Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV), Av Instituto Polit\u00e9cnico Nacional 2508, Mexico City 07360, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0557-5714","authenticated-orcid":true,"given":"J\u00fcrgen","family":"Bajorath","sequence":"additional","affiliation":[{"name":"Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Endenicher Allee 19c, Rheinische Friedrich-Wilhelms-Universit\u00e4t, D-53115 Bonn, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4940-1107","authenticated-orcid":true,"given":"Jos\u00e9 L.","family":"Medina-Franco","sequence":"additional","affiliation":[{"name":"DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Av Universidad 3000, Mexico City 04510, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2020,12,31]]},"reference":[{"key":"ref1\/cit1","unstructured":"Oxford Learner\u2019s Dictionary; Oxford University Press, 2020. https:\/\/www.oxfordlearnersdictionaries.com\/ (accessed December 2020)."},{"key":"ref2\/cit2","unstructured":"Cambridge Dictionary; Cambridge University Press, 2020. https:\/\/dictionary.cambridge.org\/ (accessed December 2020)."},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202000518"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkx1037"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.3390\/molecules21020151"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/cr0102009"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-019-0050-3"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1186\/s13073-019-0689-8"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1557\/mrc.2020.2"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1016\/B978-0-12-809633-8.20410-X","volume-title":"Encyclopedia of Bioinformatics and Computational Biology","author":"Bilotta M.","year":"2019"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/S1359-6446(04)02916-2"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.2477\/jccj.5.53"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/minf.202000173"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00726"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1177\/2168479017701977"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-319-10226-9","volume-title":"Foodinformatics: Applications of Chemical Information to Food Chemistry","author":"Martinez-Mayorga K.","year":"2014"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbi.2009.08.006"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1142\/S0219635202000128"},{"key":"ref19\/cit19","volume-title":"Epi-Informatics: Discovery and Development of Small Molecule Epigenetic Drugs and Probes","author":"Medina-Franco J.","year":"2016"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btg309"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bby063"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1002021"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-60761-839-3_1"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ci060016u"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/S0065-7743(08)61100-8"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1080\/17460441.2020.1696307"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201000100"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.3389\/fgene.2019.00368"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodchem.2020.128354"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.15440.2"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1002\/9783527806539.ch10","volume-title":"Applied Chemoinformatics","volume":"16","author":"Pe\u00f1a-Castillo A.","year":"2018"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acsmacrolett.7b00228"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/S1369-7021(05)71123-8"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","DOI":"10.1002\/9783527618279","volume-title":"Handbook of Chemoinformatics: From Data to Knowledge","author":"Gasteiger J.","year":"2003"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0406-z"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2006.03.010"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.5455\/aim.2016.24.422-423"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1197\/jamia.M3092"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1038\/nature01515"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.4338\/ACI-2009-11-R-0016"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/j.clinthera.2016.11.006"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.3390\/biom9010031"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.2144\/fsoa-2020-0068"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00341"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-020-00424-9"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/minf.202000171"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.3390\/biom10111566"},{"key":"ref49\/cit49","first-page":"1","volume-title":"Progress in the Chemistry of Organic Natural Products 110: Cheminformatics in Natural Product Research","author":"Prieto-Mart\u00ednez F. D.","year":"2019"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.5b00524"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.4137\/BBI.S451"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-013-9672-4"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1002\/jcp.24662"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.4172\/jcsb.1000190"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1039\/D0CS00098A"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1517\/17460441.2012.679616"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1007\/s11030-014-9514-x"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01249"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1080\/17460441.2019.1581170"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2019.09.013"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1039\/D0RA04922K"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.19764.1"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c01301","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,16]],"date-time":"2023-10-16T16:40:43Z","timestamp":1697474443000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c01301"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,12,31]]},"references-count":62,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2021,1,25]]}},"alternative-id":["10.1021\/acs.jcim.0c01301"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c01301","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,12,31]]}}}