{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,24]],"date-time":"2026-03-24T05:23:46Z","timestamp":1774329826258,"version":"3.50.1"},"reference-count":50,"publisher":"American Chemical Society (ACS)","issue":"20","license":[{"start":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T00:00:00Z","timestamp":1696982400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T00:00:00Z","timestamp":1696982400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T00:00:00Z","timestamp":1696982400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100015259","name":"State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology","doi-asserted-by":"publisher","award":["001\/2020\/ALC"],"award-info":[{"award-number":["001\/2020\/ALC"]}],"id":[{"id":"10.13039\/501100015259","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Science and Technology Development Fund, Macau SAR","award":["0015\/2019\/AMJ"],"award-info":[{"award-number":["0015\/2019\/AMJ"]}]},{"name":"Science and Technology Development Fund, Macau SAR","award":["0056\/2020\/AMJ"],"award-info":[{"award-number":["0056\/2020\/AMJ"]}]},{"name":"Science and Technology Development Fund, Macau SAR","award":["0114\/2020\/A3"],"award-info":[{"award-number":["0114\/2020\/A3"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,10,23]]},"DOI":"10.1021\/acs.jcim.3c00685","type":"journal-article","created":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T20:45:02Z","timestamp":1697057102000},"page":"6169-6176","source":"Crossref","is-referenced-by-count":17,"title":["CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9282-5816","authenticated-orcid":true,"given":"Xiaodan","family":"Yin","sequence":"first","affiliation":[{"name":"Dr. Neher\u2019s Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Macao, 999078, China"},{"name":"Carbon\u2212Silicon AI Technology Co., Ltd, Zhejiang, Hangzhou 310018, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6893-2013","authenticated-orcid":true,"given":"Xiaorui","family":"Wang","sequence":"additional","affiliation":[{"name":"Dr. Neher\u2019s Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Macao, 999078, China"},{"name":"Carbon\u2212Silicon AI Technology Co., Ltd, Zhejiang, Hangzhou 310018, China"}]},{"given":"Yuquan","family":"Li","sequence":"additional","affiliation":[{"name":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, China"}]},{"given":"Jike","family":"Wang","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences and Cancer Center, Zhejiang University, Hangzhou, 310058, China"}]},{"given":"Yuwei","family":"Wang","sequence":"additional","affiliation":[{"name":"College of Pharmacy, Shaanxi University of Chinese Medicine, Xianyang, 712000, China"}]},{"given":"Yafeng","family":"Deng","sequence":"additional","affiliation":[{"name":"Carbon\u2212Silicon AI Technology Co., Ltd, Zhejiang, Hangzhou 310018, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7227-2580","authenticated-orcid":true,"given":"Tingjun","family":"Hou","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences and Cancer Center, Zhejiang University, Hangzhou, 310058, China"}]},{"given":"Huanxiang","family":"Liu","sequence":"additional","affiliation":[{"name":"Faculty of Applied Sciences, Macao Polytechnic University, Macao, 999078, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3095-9223","authenticated-orcid":true,"given":"Pei","family":"Luo","sequence":"additional","affiliation":[{"name":"Dr. Neher\u2019s Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Macao, 999078, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9958-8438","authenticated-orcid":true,"given":"Xiaojun","family":"Yao","sequence":"additional","affiliation":[{"name":"Faculty of Applied Sciences, Macao Polytechnic University, Macao, 999078, China"}]}],"member":"316","published-online":{"date-parts":[[2023,10,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.4155\/fmc-2019-0307"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/nrd4507"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab430"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.3390\/ijms22094435"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.216"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.chembiol.2003.08.011"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/minf.200900081"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2018.05.010"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jm4004285"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-020-00314-0"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26175124"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ci2003544"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/nrd1468"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00067"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-6-33"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ci200192v"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkac297"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz382"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1320001111"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1208\/s12248-012-9449-z"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btt303"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1284"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1124\/pr.112.007336"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.ymeth.2014.09.006"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-021-00523-1"},{"key":"ref26\/cit26","unstructured":"GOSTAR. https:\/\/www.gostardb.com\/."},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbaa266"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00237"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-020-00314-0"},{"key":"ref30\/cit30","unstructured":"RDKit; 2021. https:\/\/www.rdkit.org\/."},{"key":"ref31\/cit31","first-page":"1263","volume-title":"International Conference on Machine Learning, 2017","author":"Gilmer J.","year":"2017"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0407-y"},{"key":"ref33\/cit33","unstructured":"Veli\u010dkovi\u0107, P.; Cucurull, G.; Casanova, A.; Romero, A.; Lio, P.; Bengio, Y. Graph Attention Networks. arXiv (Statistics.Machine Learning), October 30, 2017, 1710.10903, ver. 1. https:\/\/arxiv.org\/abs\/1710.10903v1."},{"key":"ref34\/cit34","unstructured":"Xu, K.; Hu, W.; Leskovec, J.; Jegelka, S. How Powerful Are Graph Neural Networks? arXiv (Computer Science.Machine Learning), October 1, 2018, 1810.00826, ver. 1. https:\/\/arxiv.org\/abs\/1810.00826v1."},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1007\/BF00994018"},{"key":"ref36\/cit36","first-page":"278","volume-title":"Proceedings of 3rd International Conference on Document Analysis and Recognition, 1995","volume":"1","author":"Ho T. K.","year":"1995"},{"key":"ref37\/cit37","volume-title":"Xgboost: Extreme Gradient Boosting. R","author":"Chen T.","year":"2015"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-020-0416-x"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2021.113329"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.3390\/cancers13081966"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112995"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2022.01.006"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.prostaglandins.2020.106520"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.1c06715"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1177\/1947603520946385"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1186\/ar4133"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2015.1078407"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkac297"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-020-00479-8"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1080\/17460441.2021.1901685"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00685","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00685","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,23]],"date-time":"2023-10-23T08:24:55Z","timestamp":1698049495000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c00685"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,10,11]]},"references-count":50,"journal-issue":{"issue":"20","published-print":{"date-parts":[[2023,10,23]]}},"alternative-id":["10.1021\/acs.jcim.3c00685"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c00685","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,10,11]]}}}