{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T14:04:20Z","timestamp":1784297060085,"version":"3.55.0"},"reference-count":40,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2026,6,12]],"date-time":"2026-06-12T00:00:00Z","timestamp":1781222400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000165","name":"Division of Chemistry","doi-asserted-by":"publisher","award":["1955260"],"award-info":[{"award-number":["1955260"]}],"id":[{"id":"10.13039\/100000165","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R01GM147673"],"award-info":[{"award-number":["R01GM147673"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R01GM149705"],"award-info":[{"award-number":["R01GM149705"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R35GM163906"],"award-info":[{"award-number":["R35GM163906"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100004312","name":"Eli Lilly and Company","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100004312","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Org. Process Res. Dev."],"published-print":{"date-parts":[[2026,7,17]]},"DOI":"10.1021\/acs.oprd.6c00166","type":"journal-article","created":{"date-parts":[[2026,6,12]],"date-time":"2026-06-12T11:28:02Z","timestamp":1781263682000},"page":"2028-2040","source":"Crossref","is-referenced-by-count":0,"title":["Toward Predicting Solubility of Arbitrary Solutes in Arbitrary Solvents: Prediction of Density and Refractive Index Using Machine Learning Algorithms with Global Sensitivity Analysis"],"prefix":"10.1021","volume":"30","author":[{"given":"Brian","family":"Hu","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy","place":["Pittsburgh, United States"]},{"name":"University of Pittsburgh","place":["Pittsburgh, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jingchen","family":"Zhai","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy","place":["Pittsburgh, United States"]},{"name":"University of Pittsburgh","place":["Pittsburgh, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiguang","family":"Qi","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy","place":["Pittsburgh, United States"]},{"name":"University of Pittsburgh","place":["Pittsburgh, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7431-7893","authenticated-orcid":true,"given":"Xibing","family":"He","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy","place":["Pittsburgh, United States"]},{"name":"University of Pittsburgh","place":["Pittsburgh, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nick X.","family":"Wang","sequence":"additional","affiliation":[{"name":"Small Molecule Discovery","place":["Indianapolis, United States"]},{"name":"Eli Lilly and Company, Lilly Corporate Center","place":["Indianapolis, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9607-8229","authenticated-orcid":true,"given":"Junmei","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy","place":["Pittsburgh, United States"]},{"name":"University of Pittsburgh","place":["Pittsburgh, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,12]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2020.112449"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1063\/1.2171192"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP01727J"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ja029833a"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/jp910540z"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20832"},{"key":"ref8\/cit8","first-page":"171","volume-title":"Molecular Dynamics-Studies of Synthetic and Biological Macromolecules","author":"Hayes J. M.","year":"2012"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1364\/OE.11.001541"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.2345063"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1063\/1.433954"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ed071p962"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/es202525q"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jp304547r"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/ef3001339"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.optcom.2007.12.030"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ci980087w"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/je5000633"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00253"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","DOI":"10.1201\/9780203910115","volume-title":"Prediction of Polymer Properties","author":"Bicerano J.","year":"2002"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1117\/1.2908937"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-021-00716-z"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/qua.26870"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1002\/9781119815075.ch18","volume-title":"Machine Learning and the City: Applications in Architecture and Urban Design","author":"Bell J.","year":"2022"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2018.06.046"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c03130"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.0030116"},{"key":"ref28\/cit28","first-page":"5281","volume":"8","author":"Landrum G.","year":"2013","journal-title":"Greg Landrum"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.005"},{"key":"ref31\/cit31","volume-title":"RDKit: Open-Source Cheminformatics","author":"Landrum G.","year":"2006"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.artint.2021.103502"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbaf205"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5c00038"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/ct200142z"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c01153"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/5.0019056"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.005"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/S0969-2126(99)80033-1"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-0282(199603)38:3<305::AID-BIP4>3.0.CO;2-Y"},{"key":"ref42\/cit42","volume-title":"CRC Handbook of Chemistry and Physics","author":"Haynes W. M. E.","year":"2011","edition":"92"}],"container-title":["Organic Process Research &amp; Development"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.oprd.6c00166","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.oprd.6c00166","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T13:25:47Z","timestamp":1784294747000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.oprd.6c00166"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,12]]},"references-count":40,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2026,7,17]]}},"alternative-id":["10.1021\/acs.oprd.6c00166"],"URL":"https:\/\/doi.org\/10.1021\/acs.oprd.6c00166","relation":{},"ISSN":["1083-6160","1520-586X"],"issn-type":[{"value":"1083-6160","type":"print"},{"value":"1520-586X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,12]]}}}