{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,2]],"date-time":"2026-06-02T00:15:37Z","timestamp":1780359337239,"version":"3.54.1"},"reference-count":18,"publisher":"Oxford University Press (OUP)","issue":"24","license":[{"start":{"date-parts":[[2019,6,22]],"date-time":"2019-06-22T00:00:00Z","timestamp":1561161600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["81773634"],"award-info":[{"award-number":["81773634"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"National Science & Technology Major Project \u2018Key New Drug Creation and Manufacturing Programme\u2019","award":["2018ZX09711002"],"award-info":[{"award-number":["2018ZX09711002"]}]},{"name":"\u2018Personalized Medicines\u2014Molecular Signature-based Drug Discovery and Development\u2019"},{"name":"Strategic Priority Research Programme of the Chinese Academy of Sciences","award":["XDA12050201"],"award-info":[{"award-number":["XDA12050201"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,12,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Motivation<\/jats:title>\n                  <jats:p>The large-scale kinome-wide virtual profiling for small molecules is a daunting task by experimental and traditional in silico drug design approaches. Recent advances in deep learning algorithms have brought about new opportunities in promoting this process.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>KinomeX is an online platform to predict kinome-wide polypharmacology effect of small molecules based solely on their chemical structures. The prediction is made by a multi-task deep neural network model trained with over 140\u2009000 bioactivity data points for 391 kinases. Extensive computational and experimental validations have been performed. Overall, KinomeX enables users to create a comprehensive kinome interaction network for designing novel chemical modulators, and is of practical value on exploring the previously less studied or untargeted kinases.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>KinomeX is available at: https:\/\/kinome.dddc.ac.cn.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btz519","type":"journal-article","created":{"date-parts":[[2019,6,18]],"date-time":"2019-06-18T11:10:36Z","timestamp":1560856236000},"page":"5354-5356","source":"Crossref","is-referenced-by-count":40,"title":["KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules"],"prefix":"10.1093","volume":"35","author":[{"given":"Zhaojun","family":"Li","sequence":"first","affiliation":[{"name":"School of Information Management, Dezhou University , Dezhou, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xutong","family":"Li","sequence":"additional","affiliation":[{"name":"Drug Discovery and Design Center, State Key Laboratory of Drug Research , Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China"},{"name":"University of Chinese Academy of Sciences , Beijing, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaohong","family":"Liu","sequence":"additional","affiliation":[{"name":"Drug Discovery and Design Center, State Key Laboratory of Drug Research , Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China"},{"name":"School of Life Science and Technology, ShanghaiTech University , Shanghai, 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