{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T01:02:47Z","timestamp":1775005367523,"version":"3.50.1"},"reference-count":35,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2020,3,4]],"date-time":"2020-03-04T00:00:00Z","timestamp":1583280000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,3,4]],"date-time":"2020-03-04T00:00:00Z","timestamp":1583280000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,3,4]],"date-time":"2020-03-04T00:00:00Z","timestamp":1583280000000},"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":[[2020,4,27]]},"DOI":"10.1021\/acs.jcim.9b00692","type":"journal-article","created":{"date-parts":[[2020,3,5]],"date-time":"2020-03-05T02:04:28Z","timestamp":1583373868000},"page":"2091-2099","source":"Crossref","is-referenced-by-count":5,"title":["Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation"],"prefix":"10.1021","volume":"60","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7678-5882","authenticated-orcid":true,"given":"Michael J.","family":"Bower","sequence":"first","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]},{"given":"Alex M.","family":"Aronov","sequence":"additional","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]},{"given":"Thomas","family":"Cleveland","sequence":"additional","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]},{"given":"Niresh","family":"Hariparsad","sequence":"additional","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3586-965X","authenticated-orcid":true,"given":"Georgia B.","family":"McGaughey","sequence":"additional","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3794-8666","authenticated-orcid":true,"given":"Daniel R.","family":"McMasters","sequence":"additional","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]},{"given":"Xiaodan","family":"Zhang","sequence":"additional","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]},{"given":"Brian","family":"Goldman","sequence":"additional","affiliation":[{"name":"Vertex Pharmaceuticals, 50 Northern Avenue, Boston, Massachusetts 02210, United States"}]}],"member":"316","published-online":{"date-parts":[[2020,3,4]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1006\/abbi.1999.1351"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2010.08.006"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.pharmtox.39.1.1"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1126\/science.1060762"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1172\/JCI3703"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1124\/dmd.30.1.96"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ci049722q"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrestox.6b00227"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2012.05.012"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.2133\/dmpk.DMPK-11-RG-159"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/tx500389q"},{"key":"ref12\/cit12","unstructured":"OMEGA, ver. 2.5.1.4; OpenEye Scientific\nSoftware: Santa Fe, NM."},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ci100031x"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","unstructured":"Todeschini, R.; Consonni, V. Handbook of Molecular Descriptors; Wiley-VCH: Weinheim, Germany, 2000; p 312.","DOI":"10.1002\/9783527613106"},{"key":"ref15\/cit15","unstructured":"Molecular Operating\nEnvironment (MOE), 2019.01; Chemical Computing\nGroup: Montreal\nQC, 2019."},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1124\/dmd.117.075481"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw1074"},{"key":"ref18\/cit18","unstructured":"https:\/\/drugs.ncats.io\/ (accessed\n2020-01-22)."},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/bi0268753"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(03)00795-2"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2006.12.026"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/gzn017"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/pro.706"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2013.04.012"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jm5003167"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2014.12.022"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms9089"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b01078"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-017-00780-5"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2017.12.006"},{"key":"ref31\/cit31","unstructured":"Grapheme; OpenEye Scientific Software: Santa Fe, NM, 2019."},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1080\/00498250601050412"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.3109\/03602532.2012.743560"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2018.08.022"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2009.01.058"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.9b00692","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T01:52:00Z","timestamp":1682473920000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b00692"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,3,4]]},"references-count":35,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2020,4,27]]}},"alternative-id":["10.1021\/acs.jcim.9b00692"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.9b00692","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,3,4]]}}}