{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T00:23:00Z","timestamp":1760401380259,"version":"build-2065373602"},"reference-count":45,"publisher":"American Chemical Society (ACS)","issue":"19","license":[{"start":{"date-parts":[[2025,9,15]],"date-time":"2025-09-15T00:00:00Z","timestamp":1757894400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,9,15]],"date-time":"2025-09-15T00:00:00Z","timestamp":1757894400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,9,15]],"date-time":"2025-09-15T00:00:00Z","timestamp":1757894400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"name":"PharmaBlock Sciences Nanjing Inc."}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,10,13]]},"DOI":"10.1021\/acs.jcim.5c00816","type":"journal-article","created":{"date-parts":[[2025,9,15]],"date-time":"2025-09-15T08:28:05Z","timestamp":1757924885000},"page":"10487-10502","source":"Crossref","is-referenced-by-count":0,"title":["Development and Validation of an Automated DNA-Encoded Library Screening Data Analysis Platform: PB-DEL Autoscreening Analysis (PB-DELASA)"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0009-0006-6847-7405","authenticated-orcid":true,"given":"Keke","family":"Dong","sequence":"first","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]},{"given":"Xiangfei","family":"Meng","sequence":"additional","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]},{"given":"Hongyi","family":"Diao","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Coordination Chemistry, Chemistry and Biomedicine Innovation Center (ChemBIC), ChemBioMed Interdisciplinary Research Center at Nanjing University, School of Chemistry and Chemical Engineering","place":["Nanjing, PR China"]},{"name":"Nanjing University","place":["Nanjing, PR China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4545-6346","authenticated-orcid":true,"given":"Bing","family":"Qi","sequence":"additional","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]},{"given":"Zhuangzhi","family":"Chen","sequence":"additional","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9489-7327","authenticated-orcid":true,"given":"Wei","family":"Ma","sequence":"additional","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]},{"given":"Yihang","family":"Zhang","sequence":"additional","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]},{"given":"Minmin","family":"Yang","sequence":"additional","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5177-5699","authenticated-orcid":true,"given":"Jing","family":"Zhao","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Coordination Chemistry, Chemistry and Biomedicine Innovation Center (ChemBIC), ChemBioMed Interdisciplinary Research Center at Nanjing University, School of Chemistry and Chemical Engineering","place":["Nanjing, PR China"]},{"name":"Nanjing University","place":["Nanjing, PR China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0888-3800","authenticated-orcid":true,"given":"Liu","family":"Liu","sequence":"additional","affiliation":[{"name":"PharmaBlock Sciences (Nanjing), Inc., 81 Huasheng Road, Jiangbei New Area, Nanjing, Jiangsu 210032, China"}]}],"member":"316","published-online":{"date-parts":[[2025,9,15]]},"reference":[{"doi-asserted-by":"publisher","key":"ref1\/cit1","DOI":"10.1038\/nchembio.211"},{"doi-asserted-by":"publisher","key":"ref2\/cit2","DOI":"10.1073\/pnas.0805130105"},{"doi-asserted-by":"publisher","key":"ref3\/cit3","DOI":"10.1146\/annurev-biochem-062917-012550"},{"doi-asserted-by":"publisher","key":"ref4\/cit4","DOI":"10.1177\/2472555217752091"},{"doi-asserted-by":"publisher","key":"ref5\/cit5","DOI":"10.1021\/acs.jcim.7b00006"},{"doi-asserted-by":"publisher","key":"ref6\/cit6","DOI":"10.1021\/acs.jcim.9b00729"},{"doi-asserted-by":"publisher","key":"ref7\/cit7","DOI":"10.1038\/s42004-020-00374-1"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1007\/7355_2022_149","volume-title":"DNA-Encoded Libraries","author":"Gui Y.","year":"2022"},{"doi-asserted-by":"publisher","key":"ref9\/cit9","DOI":"10.1177\/2472555220908240"},{"doi-asserted-by":"publisher","key":"ref10\/cit10","DOI":"10.1038\/s41557-018-0017-8"},{"doi-asserted-by":"publisher","key":"ref11\/cit11","DOI":"10.1021\/acscombsci.8b00116"},{"doi-asserted-by":"publisher","key":"ref12\/cit12","DOI":"10.1021\/acs.jcim.1c00986"},{"doi-asserted-by":"publisher","key":"ref13\/cit13","DOI":"10.1016\/j.bbrc.2020.04.029"},{"doi-asserted-by":"publisher","key":"ref14\/cit14","DOI":"10.1016\/j.bbrc.2020.04.024"},{"doi-asserted-by":"publisher","key":"ref15\/cit15","DOI":"10.1177\/2472555220979589"},{"doi-asserted-by":"publisher","key":"ref16\/cit16","DOI":"10.1021\/acs.bioconjchem.1c00170"},{"doi-asserted-by":"publisher","key":"ref17\/cit17","DOI":"10.1038\/ncomms16081"},{"doi-asserted-by":"publisher","key":"ref18\/cit18","DOI":"10.1038\/nprot.2016.039"},{"doi-asserted-by":"publisher","key":"ref19\/cit19","DOI":"10.1177\/2472555217753840"},{"doi-asserted-by":"publisher","key":"ref20\/cit20","DOI":"10.1021\/acs.jcim.3c00588"},{"doi-asserted-by":"publisher","key":"ref21\/cit21","DOI":"10.1021\/acs.jcim.3c01699"},{"doi-asserted-by":"publisher","key":"ref22\/cit22","DOI":"10.1002\/anie.201901485"},{"doi-asserted-by":"publisher","key":"ref23\/cit23","DOI":"10.1021\/acscombsci.6b00001"},{"doi-asserted-by":"publisher","key":"ref24\/cit24","DOI":"10.1021\/acs.jmedchem.9b01670"},{"doi-asserted-by":"publisher","key":"ref25\/cit25","DOI":"10.1002\/anie.202006280"},{"unstructured":"RDKit: Open-Source Cheminformatics. https:\/\/www.rdkit.org.","key":"ref26\/cit26"},{"doi-asserted-by":"publisher","key":"ref27\/cit27","DOI":"10.1016\/S0169-409X(96)00423-1"},{"doi-asserted-by":"publisher","key":"ref28\/cit28","DOI":"10.1016\/j.ddtec.2004.11.007"},{"doi-asserted-by":"publisher","key":"ref29\/cit29","DOI":"10.1021\/acs.jmedchem.0c01754"},{"doi-asserted-by":"publisher","key":"ref30\/cit30","DOI":"10.1021\/jm0306430"},{"doi-asserted-by":"publisher","key":"ref31\/cit31","DOI":"10.1016\/j.softx.2015.06.001"},{"doi-asserted-by":"publisher","key":"ref32\/cit32a","DOI":"10.1021\/ja00124a002"},{"doi-asserted-by":"publisher","key":"ref32\/cit32b","DOI":"10.1021\/ja965400u"},{"doi-asserted-by":"publisher","key":"ref33\/cit33","DOI":"10.1002\/jcc.20035"},{"doi-asserted-by":"publisher","key":"ref34\/cit34","DOI":"10.1021\/acs.jctc.1c00645"},{"doi-asserted-by":"publisher","key":"ref35\/cit35","DOI":"10.14806\/ej.17.1.200"},{"doi-asserted-by":"publisher","key":"ref36\/cit36","DOI":"10.1093\/bioinformatics\/bty560"},{"unstructured":"Seqtk: Toolkit for Processing Sequences in FASTA\/Q\nFormats. https:\/\/github.com\/lh3\/seqtk.","key":"ref37\/cit37"},{"doi-asserted-by":"publisher","key":"ref38\/cit38","DOI":"10.1007\/s101070050012"},{"doi-asserted-by":"publisher","key":"ref39\/cit39","DOI":"10.1021\/ci500588j"},{"doi-asserted-by":"publisher","key":"ref40\/cit40","DOI":"10.1093\/nar\/gkab255"},{"doi-asserted-by":"publisher","key":"ref41\/cit41","DOI":"10.1038\/s41401-019-0228-6"},{"doi-asserted-by":"publisher","key":"ref42\/cit42","DOI":"10.1093\/bioinformatics\/btu104"},{"unstructured":"Peng, Z. J. J.; Hu, J.; Cui, Q.; Wu, Y.; Yi, Y.; Chen, Q.; Wang, J. CDK9 Inhibitor and the Use, 2022.","key":"ref43\/cit43"},{"doi-asserted-by":"publisher","key":"ref44\/cit44","DOI":"10.1186\/1471-2105-13-31"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00816","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00816","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T08:17:25Z","timestamp":1760343445000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c00816"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,9,15]]},"references-count":45,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2025,10,13]]}},"alternative-id":["10.1021\/acs.jcim.5c00816"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c00816","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2025,9,15]]}}}