admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties. - Hongbin Yang; Chaofeng Lou; Lixia Sun; Jie Li; Yingchun Cai; Zhuang Wang; Weihua Li 005; Guixia Liu; Yun Tang 001 (Bioinform., 2019)

Profiling prediction of nuclear receptor modulators with multi-task deep learning methods: toward the virtual screening. - Jiye Wang; Chaofeng Lou; Guixia Liu; Weihua Li 005; Zengrui Wu; Yun Tang 001 (Briefings Bioinform., 2022)

In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network. - Mengting Huang; Chaofeng Lou; Zengrui Wu; Weihua Li 005; Philip W. Lee; Yun Tang 001; Guixia Liu (J. Cheminformatics, 2022)

A multitask GNN-based interpretable model for discovery of selective JAK inhibitors. - Yimeng Wang; Yaxin Gu; Chaofeng Lou; Yuning Gong; Zengrui Wu; Weihua Li 005; Yun Tang 001; Guixia Liu (J. Cheminformatics, 2022)

IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method. - Chaofeng Lou; Hongbin Yang; Jiye Wang; Mengting Huang; Weihua Li 005; Guixia Liu; Philip W. Lee; Yun Tang 001 (J. Chem. Inf. Model., 2022)

Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods. - Chaofeng Lou; Hongbin Yang; Hua Deng; Mengting Huang; Weihua Li 005; Guixia Liu; Philip W. Lee; Yun Tang 001 (J. Cheminformatics, 2023)