{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T22:28:55Z","timestamp":1778106535695,"version":"3.51.4"},"reference-count":62,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2025,3,14]],"date-time":"2025-03-14T00:00:00Z","timestamp":1741910400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["2022H1D3A2A02052306"],"award-info":[{"award-number":["2022H1D3A2A02052306"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["NRF-2018R1A5A2025286"],"award-info":[{"award-number":["NRF-2018R1A5A2025286"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["NRF-2020R1A2C2101636"],"award-info":[{"award-number":["NRF-2020R1A2C2101636"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["NRF-2022M3E5F3080873"],"award-info":[{"award-number":["NRF-2022M3E5F3080873"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS-2023-00260706"],"award-info":[{"award-number":["RS-2023-00260706"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100021520","name":"National Supercomputing Center, Korea Institute of Science and Technology Information","doi-asserted-by":"publisher","award":["KSC-2022-CRE-0517"],"award-info":[{"award-number":["KSC-2022-CRE-0517"]}],"id":[{"id":"10.13039\/501100021520","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,4,14]]},"DOI":"10.1021\/acs.jcim.4c02122","type":"journal-article","created":{"date-parts":[[2025,3,14]],"date-time":"2025-03-14T14:13:31Z","timestamp":1741961611000},"page":"3215-3225","source":"Crossref","is-referenced-by-count":19,"title":["Employing Automated Machine Learning (AutoML) Methods to Facilitate the <i>In Silico<\/i> ADMET Properties Prediction"],"prefix":"10.1021","volume":"65","author":[{"given":"Herim","family":"Han","sequence":"first","affiliation":[{"name":"NamuICT R&D Center","place":["Seoul, Republic of Korea"]},{"name":"NamuICT","place":["Seoul, Republic of Korea"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3281-6982","authenticated-orcid":true,"given":"Bilal","family":"Shaker","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]},{"given":"Jin Hee","family":"Lee","sequence":"additional","affiliation":[{"name":"Ildong Pharmaceutical Co. Ltd.","place":["Hwaseong, Republic of Korea"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4330-7710","authenticated-orcid":true,"given":"Sunghwan","family":"Choi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Inha University, 100 Inha-ro, Incheon 22212, Michuhol-gu, Republic of Korea"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1882-887X","authenticated-orcid":true,"given":"Sanghee","family":"Yoon","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8093-3665","authenticated-orcid":true,"given":"Maninder","family":"Singh","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]},{"given":"Shaherin","family":"Basith","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]},{"given":"Minghua","family":"Cui","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]},{"given":"Sunil","family":"Ahn","sequence":"additional","affiliation":[{"name":"Korea Institute of Science and Technology Information","place":["Daejeon, Republic of Korea"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0310-8781","authenticated-orcid":true,"given":"Junyoung","family":"An","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7016-2417","authenticated-orcid":true,"given":"Soosung","family":"Kang","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]},{"given":"Min Sun","family":"Yeom","sequence":"additional","affiliation":[{"name":"NamuICT R&D Center","place":["Seoul, Republic of Korea"]},{"name":"NamuICT","place":["Seoul, Republic of Korea"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7669-7954","authenticated-orcid":true,"given":"Sun","family":"Choi","sequence":"additional","affiliation":[{"name":"Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences","place":["Seoul, Republic of Korea"]},{"name":"Ewha Womans University","place":["Seoul, Republic of Korea"]}]}],"member":"316","published-online":{"date-parts":[[2025,3,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2022.02.002"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/90761"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv951"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky1075"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkab255"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b00104"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty707"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00256"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkaa166"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrestox.2c00207"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1007\/s11095-015-1800-5"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa918"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-030-05318-5_1"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1007\/s13218-015-0381-0"},{"key":"ref16\/cit16","volume-title":"Advances in Neural Information Processing Systems","volume":"28","author":"Feurer M.","year":"2015"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.48550\/ARXIV.1208.3719"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-030-05318-5_4"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-030-05318-5_5"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-030-05318-5_6"},{"key":"ref21\/cit21","first-page":"2825","volume":"12","author":"Pedregosa F.","year":"2011","journal-title":"J. Mach. Learn. Res."},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.artmed.2020.101822"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr777"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0083-5"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201000118"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejps.2010.05.014"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/mp400450m"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jm400328s"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/ci050135u"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.3390\/molecules170910429"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/S0925-4439(02)00074-1"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/ci050303i"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1007\/s11095-008-9609-0"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.vascn.2017.04.014"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1080\/10601330701273669"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/jm049711o"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.tiv.2010.08.009"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/bdd.2299"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btw713"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2004.11.014"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1007\/s11095-008-9584-5"},{"issue":"12","key":"ref42\/cit42","first-page":"1002","volume":"67","author":"Dong R.-H.","year":"2012","journal-title":"Pharmaize"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00628"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2023.1099093"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1009820"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2024.08.002"},{"key":"ref47\/cit47","unstructured":"PubChem National Center for Advancing Translational\nSciences (NCATS). BioAssay Database [Online]. https:\/\/pubchem.ncbi.nlm.nih.gov\/bioassay\/1851. accessed January 31, 2025."},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-77327-0"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-47536-3"},{"key":"ref50\/cit50","unstructured":"Schr\u00f6dinger\nRelease 2018\u20134 LigPrep; Schr\u00f6dinger,\nLLC: New York, NY, 2018."},{"key":"ref51\/cit51","unstructured":"Schr\u00f6dinger\nRelease 2023\u20133: epik; Schr\u00f6dinger,\nLLC: New York,\nNY, 2023."},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-007-9133-z"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC02664A"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.48550\/ARXIV.2309.15123"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.48550\/ARXIV.2406.00873"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.4097\/kja.21209"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.48550\/ARXIV.2102.09548"},{"key":"ref58\/cit58","first-page":"2579","volume":"9","author":"van der Maaten L.","year":"2008","journal-title":"J. Mach. Learn. Res."},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ci100104j"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1109\/CIDM.2011.5949444"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-90259-7"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkae236"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02122","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02122","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,4,14]],"date-time":"2025-04-14T08:50:25Z","timestamp":1744620625000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c02122"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,3,14]]},"references-count":62,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2025,4,14]]}},"alternative-id":["10.1021\/acs.jcim.4c02122"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c02122","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,3,14]]}}}