{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,23]],"date-time":"2025-12-23T12:34:27Z","timestamp":1766493267168,"version":"3.37.3"},"reference-count":51,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2023,3,20]],"date-time":"2023-03-20T00:00:00Z","timestamp":1679270400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,3,20]],"date-time":"2023-03-20T00:00:00Z","timestamp":1679270400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,3,20]],"date-time":"2023-03-20T00:00:00Z","timestamp":1679270400000},"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":["21933010"],"award-info":[{"award-number":["21933010"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development Program"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,4,10]]},"DOI":"10.1021\/acs.jcim.2c01393","type":"journal-article","created":{"date-parts":[[2023,3,20]],"date-time":"2023-03-20T15:02:10Z","timestamp":1679324530000},"page":"1833-1840","source":"Crossref","is-referenced-by-count":12,"title":["MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9465-3971","authenticated-orcid":true,"given":"Xiaolin","family":"Pan","sequence":"first","affiliation":[{"name":"Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China"},{"name":"NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China"}]},{"given":"Fanyu","family":"Zhao","sequence":"additional","affiliation":[{"name":"NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China"},{"name":"Department of Chemistry, New York University, New York 10003, United States"}]},{"given":"Yueqing","family":"Zhang","sequence":"additional","affiliation":[{"name":"Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China"},{"name":"NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China"}]},{"given":"Xingyu","family":"Wang","sequence":"additional","affiliation":[{"name":"NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China"}]},{"given":"Xudong","family":"Xiao","sequence":"additional","affiliation":[{"name":"Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4612-1863","authenticated-orcid":true,"given":"John Z. H.","family":"Zhang","sequence":"additional","affiliation":[{"name":"Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China"},{"name":"CAS Key Laboratory of Quantitative Engineering Biology, Shenzhen Institute of Synthetic Biology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong 518055, China"},{"name":"Faculty of Synthetic Biology, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China"},{"name":"NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China"},{"name":"Department of Chemistry, New York University, New York 10003, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5477-4894","authenticated-orcid":true,"given":"Changge","family":"Ji","sequence":"additional","affiliation":[{"name":"Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China"},{"name":"NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China"}]}],"member":"316","published-online":{"date-parts":[[2023,3,20]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9329-5"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2018.06.006"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/ci800340j"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ci900501c"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ci060109b"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-013-9676-0"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-009-9303-2"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9338-4"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00338"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC01185E"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9346-4"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ci400724v"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-007-9133-z"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9349-1"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9332-x"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-020-2558-3"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9331-y"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/cbdv.200900153"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-6-12"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9350-8"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9333-9"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9340-x"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-022-00480-3"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00121"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1039\/C6SC05720A"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-10827-4"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-020-0473-z"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1063\/5.0061990"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1063\/5.0021955"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2021.129307"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00260"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c01346"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c02614"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00083"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/jp810292n"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00817"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00025"},{"volume-title":"RDKit: A software suite for cheminformatics, computational chemistry, and predictive modeling","year":"2013","author":"Landrum G.","key":"ref38\/cit38"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b01080"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/ci00017a013"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00075"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-5-24"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.7931.1"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1088\/1361-648X\/aa680e"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00451"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1903.02428"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-014-9747-x"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00035"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b01156"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/J29670000758"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01393","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01393","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,10]],"date-time":"2023-04-10T08:10:35Z","timestamp":1681114235000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c01393"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,3,20]]},"references-count":51,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2023,4,10]]}},"alternative-id":["10.1021\/acs.jcim.2c01393"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c01393","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2023,3,20]]}}}