Iterative machine learning-based chemical similarity search to identify novel chemical inhibitors.

Durai, Prasannavenkatesh; Lee, Sue Jung; Lee, Jae Wook; Pan, Cheol-Ho; Park, Keunwan.

Afiliação

Durai P; Natural Product Informatics Research Center, Korea Institute of Science and Technology, Gangneung, 25451, Republic of Korea.
Lee SJ; Natural Product Research Center, Korea Institute of Science and Technology, Gangneung, 25451, Republic of Korea.
Lee JW; Natural Product Research Center, Korea Institute of Science and Technology, Gangneung, 25451, Republic of Korea.
Pan CH; Natural Product Informatics Research Center, Korea Institute of Science and Technology, Gangneung, 25451, Republic of Korea.
Park K; Natural Product Informatics Research Center, Korea Institute of Science and Technology, Gangneung, 25451, Republic of Korea. keunwan@kist.re.kr.

J Cheminform ; 15(1): 86, 2023 Sep 23.

Article em En | MEDLINE | ID: mdl-37742003