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Combinatorial Chemistry & High Throughput Screening|December 21, 2018
In silico Prediction of Inhibitory Constant of Thrombin Inhibitors Using Machine LearningJunnan Zhao, Lu Zhu, Weineng Zhou, et al.Molecular Diversity|August 8, 2018
ADME properties evaluation in drug discovery: in silico prediction of blood-brain partitioningLu Zhu, Junnan Zhao, Yanmin Zhang, et al.Journal of Chemical Information and Modeling|August 13, 2019
In Silico Prediction of Human Intravenous Pharmacokinetic Parameters with Improved AccuracyYuchen Wang, Haichun Liu, Yuanrong Fan, et al.Chemical Biology & Drug Design|August 9, 2019
Prediction of hERG K+ channel blockage using deep neural networksYanmin Zhang, Junnan Zhao, Yuchen Wang, et al.Chemical Biology & Drug Design|January 29, 2019
A combined drug discovery strategy based on machine learning and molecular dockingYanmin Zhang, Yuchen Wang, Weineng Zhou, et al.Journal of Chemical Information and Modeling|December 31, 2019
In Silico Design and Analysis of a Kinase-Focused Combinatorial Library Considering Diversity and QualityYan Yang, Yanmin Zhang, Yi Hua, et al.Molecular Pharmaceutics|October 4, 2019
Investigation of Machine Intelligence in Compound Cell Activity ClassificationYuanrong Fan, Yanmin Zhang, Yi Hua, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2019
Protein-ligand interaction-guided discovery of novel VEGFR-2 inhibitorsYanmin Zhang, Mingliang Zhang, Yuchen Wang, et al.Journal of Biomolecular Structure & Dynamics|October 16, 2019
Discovery of potent apoptosis signal-regulating kinase 1 inhibitors via integrated computational strategy and biological evaluationYuchen Wang, Shaohua Hou, Yu Tong, et al.Journal of Chemical Information and Modeling|November 6, 2019
Investigation of Crystal Structures in Structure-Based Virtual Screening for Protein Kinase InhibitorsXingye Chen, Haichun Liu, Wuchen Xie, et al.Pageof 2