Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis

Author:

Fu Li1,Liu Lu1,Yang Zhi-Jiang1,Li Pan2,Ding Jun-Jie2,Yun Yong-Huan3,Lu Ai-Ping4,Hou Ting-Jun5ORCID,Cao Dong-Sheng14ORCID

Affiliation:

1. Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China

2. Beijing Institute of Pharmaceutical Chemistry, Beijing 102205, P. R. China

3. College of Food Science and Engineering, Hainan University, Haikou 570228, P. R. China

4. Institute for Advancing Translational Medicine in Bone & Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong SAR 999077, P. R. China

5. Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Natural Science Foundation of Zhejiang Province

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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