{“状态”:“确定”,“消息类型”:“工作”,“信息版本”:“1.0.0”,“邮件”:{“索引”:{“日期-部件”:[[2024,6,22]],“日期-时间”:“2024-06-22T22:34:53Z”,“时间戳”:1719095693096},“引用-计数”:127,“出版商”:“美国化学学会(ACS)”,“问题”:“11”,“许可证”:[{“开始”:{-“日期-零件”:[2022,5,17]],”日期-时间“:”2022-05-17T00:00:00Z“,”时间戳“:165274560000},“content-version”:“stm-asf”,“delay-in-days”:0,“URL”:“https:\/\/doi.org\/10.15223\/policy-029”},{“start”:{“date-parts”:[[2022,5,17]],“date-time”:“2022-05-17T00:00:00Z”,“timestamp”:1652745000000},org \/10.15223 \/policy-037“},{”开始“:{”日期部分“:[2022,5,17]],“date-time”:“2022-05-17T00:00:00Z”,“timestamp”:16527456000000},“content-version”:“stm-asf”,“delay-in-days”:0,“URL”:“https:\/\/doi.org\/10.15223\/policy-045”}],“funder”:[{“doi”:“10.13039\/1000000057”,“name”:“National Institute of General Medical Sciences”,“doi-asserted-by”:“publisher”,“award”:[“R35-GM127040”]}],“内容域”:{“域”:[],“crossmark-restriction”:false},“short-container-title”:[“J.Chem.Inf.Model.”],“published-print”:{“date-parts”:[2022,6,13]]},”DOI“:”10.1021\/acs.jcim.2c00485“,”type“:”journal-article“,”created“:{”date-part“:[2022,5,17]],”date-time“:”2022-05-17T14:14:11Z“,”timestamp“:165279685100},‘page’:“2696-2712”,“source”:“Crossref”,“is-referenced-by-count”:33,“title”:[“Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein\u2013配体评分功能”],“prefix”:“10.1021”,“volume”:“62”,“author”:[{“ORCID”:”http://\/ORCID.org\/00000-0002-7136-6013“,“authenticated-ORCID”:true,“given”:‘Chao’,“family”:“Yang”,“sequence”:“first”,“affiliation”:[}“name”:“美国纽约州纽约市纽约大学化学系”}]},{“ORCID”:“http://\/ORCID.org\/0000-0002-4984-3354”,“authenticated-ORCID”:true,“given”:”Yingkai“,“family”:“Zhang”,“sequence”:“additional”,“affiliation”:[{“name”:“纽约大学化学部,美国纽约市纽约市10003”}:“上海纽约大学计算化学中心,上海200062,中国”}]}],“成员”:“316”,“在线发布”:{“date-parts”:[[2022,5,17]]},“引用”:[{“key”:“ref1\/cit1”,“doi-asserted-by”:“publisher”,”doi“:”10.1038\/nprot.2016.051“},{“key”:”ref2\/cit2“,”doi-assert-by“:”publisher“,”doi:““10.1021\/acs.jmedchem.5b02008”},{“密钥”:“ref3\/cit3”,“doi-asserted-by”:“publisher”,“doi”:“10.1038\/s41586-019-0917-9”},{“key”:“ref4\/cit4”,“doi-assertd-by”:“publisher”,“DI:”10.3389\/fphar.2018.01089/cit6“,”doi-asserted-by“:”publisher“,”doi“:”10.1021\/ci500081m“},{”key“:”ref7\/cit7“,“doi-asserted-by”:“publisher”,“doi”:“10.1021\/ci500080q”},{“key”:“ref8\/cit8”,“doi-asserted-by”:”publisher“,”doi“:”10.1038\/nprot.2017.114“},”{“key”:”ref9\/cit9“,”doi-assert-by“:”publister“,”doi“:“10.1212\/acs.jcim.8b00545”}“,{”key“:”ref10\/cit10“,“doi-asserted-by”:“publisher”,“doi”:“10.1021\/jm060999m”},{“key”:“ref11\/cit11”,“doi-sserted-by“:“publisher”,“DOI”:“10.1039\/c0cp00151a”},{“key”:“ref12\/cit12”,“DOI-asserted-by”:“publicher”,“DOI”:”10.1371\/gojournal.pcbi.1005929“},}“key”:”ref13\/cit13“,”DOI-assert-by“:”publisher“,”DOI“:”10.1093\/bab527“}”,{”key“:”ref14\/cit14“,”DOI-asserte-by“:”“publisher”,“DOI”:“10.1126\/sciadv.abc5329”},{“key”:“ref15\/cit15”,“DOI-asserted-by”:“publisher”,“DOI”:“10.3389\/fchem.2021.753002”},{“key”:“ref16\/cit16”,“DOI-asserted-by”:“publicher”,“DOI”:”10.1021\/acsomega.9b01997“}”,{”key“:”ref17\/cit17“,”DOI-assert-by“:”publisher“,”DOI“::“publisher”,“DOI”:“10.1093\/生物信息学\/btaa982”},{“key”:“ref19\/cit19”,“doi-asserted-by”:“publisher”,“doi”:“10.1021\/acs.jcim.9b00334”},{“key”:“ref20\/cit20”,“doi-asserted-by”:”publisher“,”doi“:”10.1093\/bib\/bbaa094“},“key/cit22“,”doi-asserted-by“:”publisher“,”doi“:”10.1093\/生物信息学\/btz665“},{”key“:”ref23\/cit23“,“doi-asserted-by”:“publisher”,“doi”:“10.1021\/acs.jcim.7b00650”},{“key”:“ref24\/cit24”,“doi-asserted-by”:”publisher“,”doi“:”10.1093\/生物信息学\/bty374“},”{“key”:”ref25\/cit25“,”doi-assert-by“:”publister“,”doi“:“10.1007\/s12539-019-00327-w”}、{“密钥”:“ref26\/cit26“,”非结构化“:”Wallach,I.;Dzamba,M。;Heifets,A.,《原子网:基于结构的药物发现中生物活性预测的深度卷积神经网络》。arXiv预打印arXiv:1510.02855。https:\/\/arxiv.org\/abs\/1510.02855 2015.“},{”key“:”ref27\/cit27“,”doi-asserted-by“:”publisher“,”doi“:”10.1073\/pnas.2000585117“}”,{“key”:“ref28\/cit28”,“doi-assert-by”:“publisher”,“doi”:“10.1016\/j.cbpa.2021.04.009”},“key“”:”ref29\/cit29“,”doi-asserte-by“:”“publisher”,“doi”:“10.1021\/acs.jmedchem.0c00473”},{“key”:“ref30\/cit30”,“doi-asserted-by“:”publisher“,”doi“:”10.1016\/j.cmet.2019.08.023“},{“key”:“ref31\/cit31”,“doi-assert-by”:“publisher”,“doi”:“10.1186\/s12985-020-01361-7”},“key“:”ref32\/cit32“,”doi-asserted-by“由“:”publisher“,”doi“:”10.3389\/fphar.2019.00924“}插入,{”key“:”ref34\/cit34“,”doi-asserted-by“:”publisher“,”doi“:”10.1021\/ci500731a“},{”key“:”ref35\/cit35“,”doi-asserte-by“:”publisher“,”DI:“10.1021\\/jm030489h”},“key”:“ref36\/cit36”,“doi-assert-by”:“publisher”,“doi”:“10.1002\/prot.10115”}由“:”publisher“,”doi“:”10.1002\/jcc.20893“}插入,{”key“:”ref38\/cit38“,”doi-asserted-by“:”publisher“,”doi“:”10.1002\/prot.20088“},{“key”:“ref39\/cit39”,“doi-assert-by”:“publisher”,“doi”:“10.1002\/jcc.21643”},“key“:”ref40\/cit40“,”doi-asseted-by“:”publisher“,”doi“:publisher“,”doi“:”10.1039\/C6CP01555G“},{”key“:”ref42\/cit42“,”doi-asserted-by“:”publisher“,”DOI“:”10.1021\/acs.jcim.8b00312“},{“key”:“ref43\/cit43”,“DOI-asserted-by”:“publisher”,“DOI”:“10.1021\\/jm0306430”},“key“:”ref44\/cit44“,”DOI-assert-by“:”publisher,“首页”:“455”,“DOI”:“10.1002\/jcc.21334”,“卷”:“31”,“作者”:“Trott O.”,“年份”:“2010年,“新闻标题”:“J.Compute。化学。“},{”key“:”ref46\/cit46“,”doi由“:”publisher“断言,”doi“:”10.1021\/ci400120b“},{”key“:”ref47\/cit47“,”doi由“:”publisher“断言,”doi“:”10.1021\/acs.jcim.6b00740“},{”key“:”ref48\/cit48“,”doi由“:”publisher“断言,”doi“:”10.1002\/wcms.1225“},{”key“:”ref49\/cit49“,”doi由“:”publisher“,”doi“:”10.1038\/srep46710“}断言,{”key“:”ref50\/cit50“,”doi-asserted-by“:”publisher“,”doi“:”10.1093\/生物信息学\/btq112“},{“key”:“ref51\/cit51”,“doi-assert-by”:“publisher”,“doi”:“10.1186\/1471-2105-15-291”},“key“:,“doi-asserted-by”:“publisher”,“doi”:“10.1021\/ci2003889”},{“key”:“ref54\/cit54“,”doi-asserted-by“:”publisher“,”doi“:”10.1016\/j.drudis.2014.10.012“},{”key“:”ref55\/cit55“,”doi-assertd-by“:”publisher“,”DI:“10.1002\/minf.20140132”},“key”:“ref56\/cit56”,“doi-assert-by”:“publisher”,“doi”:“10.1007\/s10822-016-9960-x”}\/cit57“,”doi-asserted-by“:”publisher“,”doi“:”10.1007\/s10822-018-0133-y“},{“key“:”ref58//cit58“,”doi-asserted-by“:”publisher“,”doi“:”10.1007“,出版商“,”DOI“:”10.1002 \/wcms.1429“},{“key”:“ref61 \/cit61”,“DOI-asserted-by”:“publisher”,“DOI”:“10.1021 \/acs.jcim.9b00714”},“key“:”ref62 \/cit62“,”DOI-assert-by“:”publisher:“10.1002\/wcms.1478”},{“key”:“ref64\/cit64”,“DOI-asserted-by”:“publisher”,“DOI”:“10.1021\/ci500406k“},{“key”:“ref65\/cit65”,“doi-asserted-by”:“publisher”,“doi”:“10.1021\\/ci500091r”},“key“:”ref66\/cit66“,”doi-assert-by“:”publisher“,”doi“:”10.1002\/jcc.24667“}、{“key”:”ref67\/cit67“,”doi-asserted-by“”:“publisher”,“doi”:”10.1021_/acs.jcim.9b00645“},{“key”:“ref68\/cit68”,“doi-asserted-by”:“publisher”,“doi”:“10.1021\/acs.jcim.1c00737“},{”key“:”ref69\/cit69“,”doi asserted by“:”publisher“,”doi“:”10.1055\/a-1582-0243“},{”key“:”ref70\/cit70“,”doi asserted by“:”crossref“,”nonstructured“:”Chen,T.;Guestrin,C.Xgboost:一个可扩展的树增强系统。在2016年第22届acm-sigkdd知识发现和数据挖掘国际会议论文集;pp 785\u2013794.“,”DOI“:”10.1145\/2939672.2939785“},{“key”:“ref71\/cit71”,“DOI-asserted-by”:“publisher”,“DOI”:“10.1021\/acs.accounts.6b00491”},“{”key“:”ref72\/cit72“,”DOI-assert-by“:”publisher“,”DOI“:由“:”publisher“,”DOI“:”10.1093\/nar\/gkv1072“}插入,{”key“:”ref74\/cit74“,”doi-asserted-by“:”publisher“,”doi“:”10.1093\/nar\/gkl999“},{“key”:“ref75\/cit75”,“doi-assert-by”:“publisher”,“doi”:“10.1021\/acs.jcim.0c00155”},“key“:”ref76\/cit76“,”doi-asserted-by““:”publisher“,”doi“:”10.1021\/ci2000727“},{”key“:”ref78\/cit78“,”doi-asserted-by“:”publisher“,”DOI“:”10.1002\/jcc.540100804“},{“key”:“ref79\/cit79”,“DOI-asserted-by”:“publisher”,“DOI”:“10.1021\/jp506555w”},“key“:”ref80\/cit80“,”DOI-assert-by“:”publisher ref81\/cit81“,”DOI-asserted-by“:”publisher“,”DOI“:”10.1021\/ci300604z“},{”key“:”ref82\/cit82“,”doi-asserted-by“:”publisher“,”doi“:”10.1023\/A:1016357811882“},{“key”:“ref83\/cit83”,“doi-assert-by”:“publisher”,“doi”:“10.1021\/acs.jcim.9b00652”},“key“:”ref84\/cit84“,”doi-asserted-by“85\/cit85“,”doi-asserted-by“:”publisher“,”doi“:”10.1186\/1758-2946-33“},{”key“:”ref87\/cit87“,”doi-asserted-by“:“publisher”,“doi”:“10.1186\/s13321-019-0362-7”},{“key”:“ref88\/cit88”,“doi-assert-by”:“publicher”,“DI:”10.1007\/s10822-020-00289-y“},“key“:”ref89\/cit89“,”doi-assetd-by“:”publisher“,”doi“:”10.1007\\s10822-018-0180-4“}ted-by“:”publisher“,”doi“:”10.1007\/s10822-017-0088-4“},{”key“:”ref91\/cit91“,”doi-asserted-by“:”publisher“,”doi“:”10.1007\/s10822-016-9946-8“},{“key”:“ref92\/cit92”,“doi-assert-by”:“publisher”,“doi”:“10.1021\/acs.jcim.1c00292”},“key“:ref94\/cit94“,”doi-asserted-by“:”publisher“,”doi“:”10.1186\/s13321-020-00456-1“},{“key“:”ref95\/cit95“,”doi-asserted-by“:”publisher“,”doi“:”10.1186\/s13321-00536-w“},{“key”:“ref96\/cit96”,”doo-asserted-by“:“publisher”,“doi”:“10.3390\/ijms21228424”},}“keys”:“ref97\/cit97”,“doi-assert-by”:“publiser”,”doi:“10.1038\/s42256-021-00409-9”}、{“密钥”:“ref98\/cit98”,“doi-asserted-by”:“publisher”,“doi”:“10.1186\/s13195-014-0089-7”},{key“:”ref99\/cit99“,”doi-asserted-by“:”publisher“,”doi“:”10.1016\/j.bmcl.2018.12.049“},{“key”:“ref100\/cit100”,“doi-assert-by”:“publisher”,“doi”:“10.1002\/med.21622”},”key“:”ref101\/cit101“,”doi-assertd-by“:”publisher“,”DI:“10.1074\/jbc.M112.409110”}“,{”key:“ref102\/cit102”,“doi-asserted-by”:“publisher”,“doi”:“10.1515\/hsz-2015-0114”},{“key“:”ref103\/cit103“,”doi asserted by“:”publisher“,”doi“:”10.1016\/j.jmg.2019.107512“},{”key“:”ref104\/cit104“,”doi asserted by“:”publisher“,”doi“:”10.1007\/s10822-019-00275-z“},{”key“:”ref105\/cit105“,”doi asserted by“:”publisher“,”doi“:”10.1007\/s10822-019-00244-6“},{”key“:”ref106\/cit106“,“doi由”:“publisher”断言,“doi”:“10.1007 \/s10822-019-00232-w“},{“key”:“ref107 \/cit107”,“doi-asserted-by”:“publisher”,“doi”:“10.1016\/j.bmc.2019.115143”},“key“:”ref108 \/cit108“,”doi-assert-by“:”publisher“,”doi“:”10.1007 \/s10822-019-00257-1“}007\/s10822-019-00225-9“},{“key”:“ref110\/cit110”,“doi-asserted-by”:“publisher“,”DOI“:”10.1007\/s10822-019-00237-5“},{“key”:“ref111\/cit111”,“DOI-asserted-by”:“publisher”,“DOI”:“10.1007\/s10822-019-00240-w”},“key“:”ref112\/cit112“,”DOI-assert-by“:”publisher“,”DOI“:”10.1093\/nar\/gkw1074“},{”key“:”ref114\/cit114“,”doi-asserted-by“:”publisher“,”doi“:”10.1093\/nar\/gkr777“},{“key”:“ref115\/cit115”,“doi-assert-by”:“publisher”,“doi”:“10.1021\/jm0608356”},“key“:”ref116\/cit116“,y“:”publisher“,”doi“:”10.1093\/nar\/gkr1132“},{”key“:”ref118\/cit118“,“doi-asserted-by“:”publisher“,”doi“:”10.1093\/nar\/gkp965“},{“key”:”ref119\/cit119“,“doi-assert-by”:“publisher”,“doi”:“10.1007\/s10822-007-9114-2”},“key“:”ref120\/cit120“,”doi-asserted-by“ted-by“:”publisher“,”doi“:”10.1021\/ci300566n“},{”key“:”ref122\/cit122“,”doi-asserted-by“:”publisher“,”doi“:”10.1371\/journal.pone.0155183“},{“key”:“ref123\/cit123”,“doi-assert-by”:“publisher”,“doi”:“10.3390\/molecules26237369”},“key“:”ref124\/cit124“,serted-by“:”publisher“,”doi“:”10.1186\/s12859-016-1169-4“},{”key“:”ref126\/cit126“,”doi-asserted-by“:”publisher“,“doi”:“10.1093\/bib\/bbaa410”},{“key”:“ref127\/cit127”,“doi-assert-by”:“publisher”,”doi“:”10.1021\/acs.jcim.0c01160“},”{“密钥”:“ref128\/cit128”,“首页”:“831”,“卷”:“12”,“作者”:“Rizvi S.M.D.”,“年份”:“2013”,“日志标题”:“EXCLI J.”}],“容器标题”:[“《化学信息与建模杂志》“],”original-title“:[],”language“:”en“,”link“:[{”URL“:”https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00485“,”content-type“:”application\/pdf“,”content-version“:”vor“,”intended-application“:”unspecified“},”{“URL”:“https:\//pubs.acs.org\/doi\\pdf\/10.10021\/ac s.jcim.2c00485“,”内容类型“:”未指定“,”content-version“:”vor“,”intended-application“:”similarity-checking“}],”deposed“:{”date-parts“:[[2023,11,21]],”date-time“:”2023-11-21T18:53:46Z“,”timestamp“:1700592826000},”score“:1,”resource“:{primary”:{“URL”:“https:\/\/pubs.acs.org\/doi\/10.10021\/acs.jcim.2c00485”}},“subtitle”:[],“短标题”:[],“已发布”:{“date-parts“:[[2022,5,17]]},“references-count”:127,“journal-issue”:{“issue”:“11”,“published-print”:{“date-part”:[[2022,6,13]]}},”alternative-id“:[”10.1021\/acs.jcim.2c00485“],”URL“:”http://\/dx.doi.org\/10.10212\/acs.jcim.2c 00485“,”关系“:{},‘ISSN’:[”154 9-9596“,”1549-960X“],”ISSN-type“:[{”value“:”1549-9596键入“:”电子“}],“主题”:[],“已发布”:{“日期部分”:[[2022,5,17]]}}}