{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,5]],"date-time":"2026-05-05T06:41:52Z","timestamp":1777963312286,"version":"3.51.4"},"reference-count":45,"publisher":"American Chemical Society (ACS)","issue":"9","license":[{"start":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T00:00:00Z","timestamp":1713312000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T00:00:00Z","timestamp":1713312000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T00:00:00Z","timestamp":1713312000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2021YFE0206400"],"award-info":[{"award-number":["2021YFE0206400"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012226","name":"Fundamental Research Funds for the Central Universities","doi-asserted-by":"publisher","award":["226-2022-00220"],"award-info":[{"award-number":["226-2022-00220"]}],"id":[{"id":"10.13039\/501100012226","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22220102001"],"award-info":[{"award-number":["22220102001"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["92370130"],"award-info":[{"award-number":["92370130"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2024,5,13]]},"DOI":"10.1021\/acs.jcim.3c01976","type":"journal-article","created":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T18:12:31Z","timestamp":1713377551000},"page":"3630-3639","source":"Crossref","is-referenced-by-count":10,"title":["Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios"],"prefix":"10.1021","volume":"64","author":[{"given":"Shukai","family":"Gu","sequence":"first","affiliation":[{"name":"Faculty of Applied Science, Macao Polytechnic University, Macao 999078, SAR, China"},{"name":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yuwei","family":"Yang","sequence":"additional","affiliation":[{"name":"Faculty of Applied Science, Macao Polytechnic University, Macao 999078, SAR, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yihao","family":"Zhao","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jiayue","family":"Qiu","sequence":"additional","affiliation":[{"name":"Faculty of Applied Science, Macao Polytechnic University, Macao 999078, SAR, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6893-2013","authenticated-orcid":true,"given":"Xiaorui","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quality Re-search in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Macao 999078, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Henry Hoi Yee","family":"Tong","sequence":"additional","affiliation":[{"name":"Faculty of Applied Science, Macao Polytechnic University, Macao 999078, SAR, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Liwei","family":"Liu","sequence":"additional","affiliation":[{"name":"Advanced Computing and Storage Laboratory, Central Research Institute, 2012 Laboratories, Huawei Technologies Co., Ltd., Nanjing 210000, Jiangsu, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiaozhe","family":"Wan","sequence":"additional","affiliation":[{"name":"Advanced Computing and Storage Laboratory, Central Research Institute, 2012 Laboratories, Huawei Technologies Co., Ltd., Nanjing 210000, Jiangsu, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9284-3667","authenticated-orcid":true,"given":"Huanxiang","family":"Liu","sequence":"additional","affiliation":[{"name":"Faculty of Applied Science, Macao Polytechnic University, Macao 999078, SAR, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7227-2580","authenticated-orcid":true,"given":"Tingjun","family":"Hou","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0999-8802","authenticated-orcid":true,"given":"Yu","family":"Kang","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2024,4,17]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/nrd.2016.244"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.2174\/157340911795677602"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2020.12.003"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1009818"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-03819-2"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/d41586-020-03348-4"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1126\/science.370.6521.1144"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/prot.26257"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkab1061"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-28865-w"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202213362"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1002\/prot.26382"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/pro.4530"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.isci.2022.105920"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c01219"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/jm300687e"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c01270"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00796"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c01400"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.15252\/msb.202211081"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0220113"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbac520"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.2c00991"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-023-00511-5"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.3389\/fbinf.2023.1120370"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1080\/21690707.2015.1095697"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/ci400115b"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btab080"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01354"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkac1052"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkad1004"},{"key":"ref34\/cit34","unstructured":"Landrum, G. RDKit: Open-Source Cheminformatics, release 2014.03.1; Zenodo, 2014."},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/jm9602928"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-013-9644-8"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ct100578z"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1111\/j.1747-0285.2007.00483.x"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1429"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-021-00409-9"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/ci600426e"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/jm0300330"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008015827877"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/jm050362n"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbad008"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01976","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01976","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,5,13]],"date-time":"2024-05-13T09:21:15Z","timestamp":1715592075000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c01976"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,4,17]]},"references-count":45,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2024,5,13]]}},"alternative-id":["10.1021\/acs.jcim.3c01976"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c01976","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,4,17]]}}}