{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,18]],"date-time":"2025-12-18T09:28:29Z","timestamp":1766050109290,"version":"3.37.3"},"reference-count":44,"publisher":"American Chemical Society (ACS)","issue":"18","license":[{"start":{"date-parts":[[2022,9,2]],"date-time":"2022-09-02T00:00:00Z","timestamp":1662076800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,9,2]],"date-time":"2022-09-02T00:00:00Z","timestamp":1662076800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,9,2]],"date-time":"2022-09-02T00:00:00Z","timestamp":1662076800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["62103436","81830101"],"award-info":[{"award-number":["62103436","81830101"]}],"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":[[2022,9,26]]},"DOI":"10.1021\/acs.jcim.2c00960","type":"journal-article","created":{"date-parts":[[2022,9,2]],"date-time":"2022-09-02T18:43:08Z","timestamp":1662144188000},"page":"4380-4390","source":"Crossref","is-referenced-by-count":13,"title":["PLA-MoRe: A Protein\u2013Ligand Binding Affinity Prediction Model via Comprehensive Molecular Representations"],"prefix":"10.1021","volume":"62","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7901-0433","authenticated-orcid":true,"given":"Qingyu","family":"Li","sequence":"first","affiliation":[{"name":"Beijing Institute of Microbiology and Epidemiology, Beijing 100850, China"}]},{"given":"Xiaochang","family":"Zhang","sequence":"additional","affiliation":[{"name":"Beijing Institute of Microbiology and Epidemiology, Beijing 100850, China"}]},{"given":"Lianlian","family":"Wu","sequence":"additional","affiliation":[{"name":"Academy of Medical Engineering and Translational Medicine, Tianjin University, Tianjin 300072, China"},{"name":"Institute of Health Service and Transfusion Medicine, Beijing 100850, China"}]},{"given":"Xiaochen","family":"Bo","sequence":"additional","affiliation":[{"name":"Institute of Health Service and Transfusion Medicine, Beijing 100850, China"}]},{"given":"Song","family":"He","sequence":"additional","affiliation":[{"name":"Institute of Health Service and Transfusion Medicine, Beijing 100850, China"}]},{"given":"Shengqi","family":"Wang","sequence":"additional","affiliation":[{"name":"Beijing Institute of Microbiology and Epidemiology, Beijing 100850, China"}]}],"member":"316","published-online":{"date-parts":[[2022,9,2]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab476"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab072"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1111\/j.1476-5381.2010.01127.x"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bby061"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/462167a"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2018.11.014"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.jhealeco.2016.01.012"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-019-0050-3"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-022-00619-2"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbu010"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty593"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1902.04166"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btz111"},{"journal-title":"Bioinformatics","year":"2017","author":"Stepniewska-Dziubinska M. M.","key":"ref14\/cit14"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa544"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa921"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa524"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty535"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1609.02907"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1710.10903"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1511.05493"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1284"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1038\/nbt.1990"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ci400709d"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.6b00491"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.23915\/distill.00002"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/0377-0427(87)90125-7"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1038\/nrd892"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-24150-4"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-29443-w"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-017-0209-z"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0068-4"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/s41587-020-0502-7"},{"key":"ref36\/cit36","unstructured":"Landrum.  RDKit:\nOpen-Source Cheminformatics, release 2014.03.1, 2010."},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1810.00826"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1007\/BF00332918"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1038\/323533a0"},{"key":"ref40\/cit40","unstructured":"Kingma, D.; Ba, J. In  Adam: A Method for Stochastic Optimization. International Conference on Learning Representations, 2014."},{"key":"ref41\/cit41","unstructured":"Nair, V.; Hinton, G. E. In  Rectified Linear Units Improve Restricted Boltzmann Machines. Proceedings of the 27th International Conference on International Conference on Machine Learning, Haifa, Israel, 2010; pp 807\u2013814."},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1810.04805"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1706.03762"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1093\/biomet\/92.4.965"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00960","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00960","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T05:03:01Z","timestamp":1682571781000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c00960"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,2]]},"references-count":44,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2022,9,26]]}},"alternative-id":["10.1021\/acs.jcim.2c00960"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c00960","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2022,9,2]]}}}