Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning-Reference-Cited by-同舟云学术

Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning

Published:2022-08-30 Issue:17 Volume:62 Page:3993-4007
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Wang Qinghua¹,Wang Zhe²,Tian Sheng³,Wang Lingling¹,Tang Rongfan¹,Yu Yang¹,Ge Jingxuan¹²,Hou Tingjun²^ORCID,Hao Haiping⁴,Sun Huiyong¹^ORCID

Affiliation:

1. Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, Jiangsu, P. R. China

2. Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China

3. Department of Medicinal Chemistry, College of Pharmaceutical Sciences, Soochow University, Suzhou 215123, P. R. China

4. State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, 210009 Nanjing, China

Funder

National Natural Science Foundation of China

Natural Science Foundation of Zhejiang Province

Young Elite Scientists Sponsorship Program by China Pharmaceutical University

National Key Research and Development Programme of China

Project of State Key Laboratory of Natural Medicines, China Pharmaceutical University

Natural Science Fund for Colleges and Universities in Jiangsu Province

Publisher

American Chemical Society (ACS)

Subject