{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,16]],"date-time":"2026-05-16T08:11:52Z","timestamp":1778919112349,"version":"3.51.4"},"reference-count":85,"publisher":"American Chemical Society (ACS)","issue":"9","license":[{"start":{"date-parts":[[2026,4,24]],"date-time":"2026-04-24T00:00:00Z","timestamp":1776988800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,4,24]],"date-time":"2026-04-24T00:00:00Z","timestamp":1776988800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,4,24]],"date-time":"2026-04-24T00:00:00Z","timestamp":1776988800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,5,11]]},"DOI":"10.1021\/acs.jcim.6c00364","type":"journal-article","created":{"date-parts":[[2026,4,24]],"date-time":"2026-04-24T09:35:26Z","timestamp":1777023326000},"page":"5155-5165","source":"Crossref","is-referenced-by-count":0,"title":["<i>In Silico<\/i>\n                    Prediction of Potential Bile Salt Export Pump Inhibitors Using Pharmacophore Models and Consensus Machine Learning"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4016-7409","authenticated-orcid":true,"given":"Sebastian","family":"Schieferdecker","sequence":"first","affiliation":[{"name":"Boehringer-Ingelheim Pharma GmbH & Co. KG","place":["Biberach, Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lydia","family":"W\u00f6lflingseder","sequence":"additional","affiliation":[{"name":"Boehringer-Ingelheim RCV GmbH & Co. KG","place":["Vienna, Austria"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jasmin","family":"Lott","sequence":"additional","affiliation":[{"name":"Boehringer-Ingelheim Pharma GmbH & Co. KG","place":["Biberach, Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2026,4,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.4254\/wjh.v7.i13.1761"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.2165\/00002018-200730040-00001"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1055\/s-0034-1375962"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1177\/009286150103500134"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2011.05.007"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/S0168-8278(97)80494-1"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s00204-006-0091-3"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/ng0810-650"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMra052270"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1086\/381446"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/hep.21095"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1002\/hep.28813"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-019-0048-x"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.cld.2016.08.002"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1038\/nrgastro.2011.22"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.2174\/1389200220666190709170256"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/hep.26709"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.cld.2012.11.002"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.2174\/1389200219666180427165035"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/hep.24229"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/BF02904284"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/0009-8981(96)06305-X"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.2533\/chimia.2022.1025"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.3748\/wjg.15.1677"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1001\/archinte.159.22.2647"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.xphs.2015.11.008"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1172\/jci.insight.90780"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1159\/000450916"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1172\/JCI117579"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/hep.1840040416"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1053\/gast.2002.36591"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1007\/s00424-006-0152-8"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.2217\/clp.12.12"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.273.16.10046"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1007\/s11095-007-9289-1"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-642-14541-4_5"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/S0300-483X(01)00460-7"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/0016-5085(94)90084-1"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1067\/mcp.2001.114667"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/bdd.527"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/S0016-5085(00)70224-1"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.2133\/dmpk.18.16"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1124\/dmd.111.040758"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1093\/toxsci\/kfq269"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1093\/toxsci\/kft176"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/cpt.1222"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1093\/toxsci\/kfx060"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/j.hep.2003.09.037"},{"key":"ref49\/cit49","author":"European Medicines Agency","year":"2012","journal-title":"Guideline on the Investigation of Drug Interactions - Revision 1"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1208\/s12248-009-9137-9"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-017-0021-x"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1124\/dmd.112.047068"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1124\/dmd.114.062539"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1093\/toxsci\/kft197"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.5b00594"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1039\/C6MB00744A"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-018-0258-y"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/j.ailsci.2021.100027"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.5281\/zenodo.17232453"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/tx5000393"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkae1075"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.2174\/1386207013330670"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/ja00051a040"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ja00336a004"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/ci990307l"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-43109-1"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1351\/pac199870051129"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.2174\/1568026611313090004"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1016\/bs.apha.2025.01.010"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/9.11.1063"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2024.105278"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-025-01045-w"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/ci0504317"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/ci034203t"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/ci0001637"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/ci00063a011"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/ci034243x"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2011.569900"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/ci700157b"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1214\/aoms\/1177732979"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1109\/icdm.2008.17"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1145\/335191.335388"},{"key":"ref84\/cit84","author":"Gombar V. K.","year":"1996","journal-title":"Method and Apparatus for Validation of Model-Based Predictions"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2019.09.022"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00364","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00364","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,5,16]],"date-time":"2026-05-16T07:40:28Z","timestamp":1778917228000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6c00364"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,4,24]]},"references-count":85,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2026,5,11]]}},"alternative-id":["10.1021\/acs.jcim.6c00364"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c00364","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,4,24]]}}}