{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T17:38:52Z","timestamp":1772127532107,"version":"3.50.1"},"reference-count":23,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2024,5,20]],"date-time":"2024-05-20T00:00:00Z","timestamp":1716163200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,5,20]],"date-time":"2024-05-20T00:00:00Z","timestamp":1716163200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,5,20]],"date-time":"2024-05-20T00:00:00Z","timestamp":1716163200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100005496","name":"American Foundation for Pharmaceutical Education","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100005496","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["T32GM135122"],"award-info":[{"award-number":["T32GM135122"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["U19AI171292"],"award-info":[{"award-number":["U19AI171292"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2024,6,10]]},"DOI":"10.1021\/acs.jcim.4c00412","type":"journal-article","created":{"date-parts":[[2024,5,20]],"date-time":"2024-05-20T18:02:21Z","timestamp":1716228141000},"page":"4387-4391","source":"Crossref","is-referenced-by-count":6,"title":["STOPLIGHT: A Hit Scoring Calculator"],"prefix":"10.1021","volume":"64","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9181-3431","authenticated-orcid":true,"given":"James","family":"Wellnitz","sequence":"first","affiliation":[{"name":"Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9123-0439","authenticated-orcid":true,"given":"Holli-Joi","family":"Martin","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"given":"Mohammad","family":"Anwar Hossain","sequence":"additional","affiliation":[{"name":"Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9979-1727","authenticated-orcid":true,"given":"Marielle","family":"Rath","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"given":"Colton","family":"Fox","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"given":"Konstantin I.","family":"Popov","sequence":"additional","affiliation":[{"name":"Center For Integrative Chemical Biology and Drug Discovery, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4181-8223","authenticated-orcid":true,"given":"Timothy M.","family":"Willson","sequence":"additional","affiliation":[{"name":"Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4616-7036","authenticated-orcid":true,"given":"Eugene N.","family":"Muratov","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3802-8896","authenticated-orcid":true,"given":"Alexander","family":"Tropsha","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-7568, United States"}]}],"member":"316","published-online":{"date-parts":[[2024,5,20]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.200600168"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-022-00363-z"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2020.07.017"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.3c00482"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/nrd4609"},{"key":"ref6\/cit6","unstructured":"Molinspiration Cheminformatics\n                      . https:\/\/www.molinspiration.com\/ (accessed 2024-04-20)."},{"key":"ref7\/cit7","unstructured":"Molsoft L.L.C.: Drug-Likeness\nand molecular property prediction\n                      . https:\/\/www.molsoft.com\/mprop\/ (accessed 2024-04-20)."},{"key":"ref8\/cit8","unstructured":"Predict Molecular Properties\n| Percepta Software\n                      . ACD\/Labs. https:\/\/www.acdlabs.com\/products\/percepta-platform\/ (accessed 2024-04-20)."},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr320"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-023-00728-6"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"ref12\/cit12","unstructured":"Pharmacokinetics Software | Predict ADME Properties\n| ADME Suite\n| ACD\/Labs\n                      . https:\/\/www.acdlabs.com\/products\/percepta-platform\/adme-suite\/ (accessed 2024-04-20)."},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/S1359-6446(03)02831-9"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(00)00129-0"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/tx200211v"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.9b01596"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","unstructured":"Landrum, G.; Tosco, P.; Kelley, B.; Rodriguez, R.; Cosgrove, D.; sriniker; Vianello, R.; gedeck; NadineSchneider; Jones, G.; Kawashima, E.; Nealschneider, D.; Dalke, A.; Cole, B.; Swain, M.; Turk, S.; Savelev, A.; Vaucher, A.; W\u00f3jcikowski, M.; Take, I.; Scalfani, V. F.; Walker, R.; Ujihara, K.; Probst, D.; godin, g.; Pahl, A.; Lehtivarjo, J.; Berenger, F.; jasondbiggs; strets123.\n                      Rdkit\/Rdkit: 2024_03_1 (Q1 2024)\n                      , Release, 2024. 10.5281\/zenodo.10893044.","DOI":"10.5281\/zenodo.10893044"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","unstructured":"Chen, T.; Guestrin, C. XGBoost: A Scalable Tree Boosting System.\n                      arXiv\n                      , June 10, 2016, ver. 3.10.48550\/arXiv.1603.02754.","DOI":"10.48550\/arXiv.1603.02754"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ci034243x"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00415"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.3c02446"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201000001"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/minf.202300207"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c00412","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c00412","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,6,10]],"date-time":"2024-06-10T04:09:52Z","timestamp":1717992592000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c00412"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,5,20]]},"references-count":23,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2024,6,10]]}},"alternative-id":["10.1021\/acs.jcim.4c00412"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c00412","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2023-8x112","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,5,20]]}}}