{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,11]],"date-time":"2026-03-11T05:31:02Z","timestamp":1773207062375,"version":"3.50.1"},"reference-count":62,"publisher":"American Chemical Society (ACS)","issue":"5","license":[{"start":{"date-parts":[[2026,2,17]],"date-time":"2026-02-17T00:00:00Z","timestamp":1771286400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,2,17]],"date-time":"2026-02-17T00:00:00Z","timestamp":1771286400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,2,17]],"date-time":"2026-02-17T00:00:00Z","timestamp":1771286400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100000066","name":"National Institute of Environmental Health Sciences","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000066","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006108","name":"National Center for Advancing Translational Sciences","doi-asserted-by":"publisher","award":["Y2-ES-7020-01"],"award-info":[{"award-number":["Y2-ES-7020-01"]}],"id":[{"id":"10.13039\/100006108","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,3,9]]},"DOI":"10.1021\/acs.jcim.5c02291","type":"journal-article","created":{"date-parts":[[2026,2,17]],"date-time":"2026-02-17T13:36:58Z","timestamp":1771335418000},"page":"2474-2487","source":"Crossref","is-referenced-by-count":0,"title":["Integrating qHTS and QSAR Models to Identify Safe GPCR-Targeted Compounds: A Focus on hERG-Dependent Cardiotoxicity"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-7239-6821","authenticated-orcid":true,"given":"Xi","family":"Luo","sequence":"first","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jinghua","family":"Zhao","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9693-1832","authenticated-orcid":true,"given":"Srilatha","family":"Sakamuru","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7285-8469","authenticated-orcid":true,"given":"Menghang","family":"Xia","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tuan","family":"Xu","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jameson","family":"Travers","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carleen","family":"Klumpp-Thomas","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hu","family":"Zhu","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5073-442X","authenticated-orcid":true,"given":"Matthew D.","family":"Hall","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3172-8347","authenticated-orcid":true,"given":"Stephen S.","family":"Ferguson","sequence":"additional","affiliation":[{"name":"Division of Translational Toxicology","place":["Research Triangle Park, United States"]},{"name":"National Institute of Environmental Health Sciences (NIEHS), National Institutes of Health (NIH)","place":["Research Triangle Park, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David M.","family":"Reif","sequence":"additional","affiliation":[{"name":"Division of Translational Toxicology","place":["Research Triangle Park, United States"]},{"name":"National Institute of Environmental Health Sciences (NIEHS), National Institutes of Health (NIH)","place":["Research Triangle Park, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8886-8311","authenticated-orcid":true,"given":"Ruili","family":"Huang","sequence":"additional","affiliation":[{"name":"Division of Pre-Clinical Innovation","place":["Rockville, United States"]},{"name":"National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH)","place":["Rockville, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2026,2,17]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.3390\/cells11030528"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.3390\/biom13101431"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1111\/bph.14157"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/jhg.2010.42"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1007\/7854_2020_141"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.3389\/fpsyt.2018.00702"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s40263-020-00752-2"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.jaip.2024.01.043"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.4103\/aian.AIAN_201_18"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abn4007"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.3233\/JAD-220766"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1097\/cad.0000000000000432"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.brainresbull.2021.10.015"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.2174\/1568026616666160608084834"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.3389\/fpsyt.2021.659044"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1038\/mp.2016.66"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2022.11.2409"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2019.11.005"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1126\/scisignal.aaf3236"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/phar.2087"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00769"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/med.21445"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms7220"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0604348103"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1126\/science.1154619"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1111\/j.1539-6924.2008.01168.x"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1289\/ehp.1205784"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrestox.0c00264"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-22046-w"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms10425"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-pharmtox-112122-104310"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-030-16443-0_14"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-0716-2213-1_13"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.3389\/fenvs.2015.00085"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.3390\/biology11020209"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrestox.9b00305"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.taap.2024.117098"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.taap.2022.116250"},{"key":"ref39\/cit39","first-page":"245","volume-title":"QSAR in Safety Evaluation and Risk Assessment","author":"Xu T.","year":"2023"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c00230"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.ymeth.2020.06.016"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-023-00497-2"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-88939-5"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00256"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1002\/jat.4477"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.3390\/biology11020209"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1124\/jpet.107.133330"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2014.11.011"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/1011-1344(90)85056-3"},{"key":"ref50\/cit50","volume-title":"Pharmacology of Antimuscarinic Agents","author":"Gyermek L.","year":"1997"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-40064-9"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.5811\/cpcem.2020.10.48716"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.brainres.2014.11.057"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-642-25761-2_10"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/j.neulet.2015.10.039"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.4196\/kjpp.2012.16.5.327"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2018.12.015"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1186\/s12859-022-04877-7"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.3390\/ijms251810230"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.crtox.2023.100121"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.6b00471"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-025-00976-8"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c02291","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c02291","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,10]],"date-time":"2026-03-10T07:40:44Z","timestamp":1773128444000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c02291"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2,17]]},"references-count":62,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2026,3,9]]}},"alternative-id":["10.1021\/acs.jcim.5c02291"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c02291","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,2,17]]}}}