{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,26]],"date-time":"2026-01-26T19:31:33Z","timestamp":1769455893165,"version":"3.49.0"},"reference-count":29,"publisher":"American Chemical Society (ACS)","issue":"2","license":[{"start":{"date-parts":[[2026,1,13]],"date-time":"2026-01-13T00:00:00Z","timestamp":1768262400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,1,13]],"date-time":"2026-01-13T00:00:00Z","timestamp":1768262400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,1,13]],"date-time":"2026-01-13T00:00:00Z","timestamp":1768262400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001348","name":"Agency for Science, Technology and Research","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001348","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001441","name":"Bioinformatics Institute","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001441","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,1,26]]},"DOI":"10.1021\/acs.jcim.5c01098","type":"journal-article","created":{"date-parts":[[2026,1,13]],"date-time":"2026-01-13T06:27:36Z","timestamp":1768285656000},"page":"834-846","source":"Crossref","is-referenced-by-count":0,"title":["Enhancing CYP450-Ligand Binding Predictions: A Comparative Analysis of Ligand-Based and Hybrid Machine Learning Models"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-5803-703X","authenticated-orcid":true,"given":"Anastasiia","family":"Tikhonova","sequence":"first","affiliation":[{"name":"Bioinformatics Institute (BII)","place":["Singapore, Republic of Singapore"]},{"name":"Agency for Science, Technology and Research (A*STAR)","place":["Singapore, Republic of Singapore"]},{"name":"Department of Pharmacy and Pharmaceutical Sciences","place":["Singapore, Republic of Singapore"]},{"name":"National University of Singapore","place":["Singapore, Republic of Singapore"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6107-9072","authenticated-orcid":true,"given":"Eric Chun Yong","family":"Chan","sequence":"additional","affiliation":[{"name":"Department of Pharmacy and Pharmaceutical Sciences","place":["Singapore, Republic of Singapore"]},{"name":"National University of Singapore","place":["Singapore, Republic of Singapore"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0199-9752","authenticated-orcid":true,"given":"Hao","family":"Fan","sequence":"additional","affiliation":[{"name":"Bioinformatics Institute (BII)","place":["Singapore, Republic of Singapore"]},{"name":"Agency for Science, Technology and Research (A*STAR)","place":["Singapore, Republic of Singapore"]},{"name":"Cancer and Stem Cell Program, Duke-NUS Medical School, 8 College Road, Singapore 169857, Republic of Singapore"},{"name":"Synthetic Biology Translational Research Program, Yong Loo Lin School of Medicine","place":["Singapore, Republic of Singapore"]},{"name":"National University of Singapore","place":["Singapore, Republic of Singapore"]},{"name":"Department of Biochemistry, Yong Loo Lin School of Medicine","place":["Singapore, Republic of Singapore"]},{"name":"National University of Singapore","place":["Singapore, Republic of Singapore"]},{"name":"Institute for Molecular and Cellular Therapeutics","place":["Beijing, China"]},{"name":"Chinese Institutes for Medical Research","place":["Beijing, China"]}]}],"member":"316","published-online":{"date-parts":[[2026,1,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1124\/dmd.104.000794"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-12108-6_9"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1098\/rstb.2012.0434"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ci200317s"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/nrd4581"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2015.12.019"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.2174\/1389200221666200817113920"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2021.116388"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1089\/omi.2023.0075"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ci100214a"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1007\/s00204-020-02897-x"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu104"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkae236"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/S0162-0134(01)00389-0"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbapap.2010.07.017"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1155\/2018\/3924608"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/ci5006004"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref20\/cit20","unstructured":"Landrum, G. 2010. \u201c\n                      RDKit\n                      .\u201d Q2. https:\/\/www.rdkit.org\/."},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-S1-P4"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-017-0220-4"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-540-78246-9_38"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/c160017a018"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ci500731a"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.3c04421"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jm030331x"},{"key":"ref29\/cit29","author":"Erickson N.","year":"2020","journal-title":"arXiv"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01098","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01098","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,1,26]],"date-time":"2026-01-26T09:11:31Z","timestamp":1769418691000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c01098"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,13]]},"references-count":29,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2026,1,26]]}},"alternative-id":["10.1021\/acs.jcim.5c01098"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c01098","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1,13]]}}}