Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods. - Yingchun Cai; Hongbin Yang 002; Weihua Li 005; Guixia Liu; Philip W. Lee; Yun Tang 001 (J. Chem. Inf. Model., 2018)

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping. - Hongbin Yang 002; Lixia Sun; Zhuang Wang; Weihua Li 005; Guixia Liu; Yun Tang 001 (J. Chem. Inf. Model., 2018)

admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties. - Hongbin Yang 002; Chaofeng Lou; Lixia Sun; Jie Li; Yingchun Cai; Zhuang Wang; Weihua Li 005; Guixia Liu; Yun Tang 001 (Bioinform., 2019)

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions. - Yingchun Cai; Hongbin Yang 002; Weihua Li 005; Guixia Liu; Philip W. Lee; Yun Tang 001 (J. Chem. Inf. Model., 2019)

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models. - Lixia Sun; Hongbin Yang 002; Yingchun Cai; Weihua Li 005; Guixia Liu; Yun Tang 001 (J. Chem. Inf. Model., 2019)

Network-based modeling of herb combinations in traditional Chinese medicine. - Yinyin Wang; Hongbin Yang 002; Linxiao Chen; Mohieddin Jafari; Jing Tang 002 (Briefings Bioinform., 2021)

Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures. - Zengrui Wu; Qiaohui Wang; Hongbin Yang 002; Jiye Wang; Weihua Li 005; Guixia Liu; Yi Yang 075; Yuzheng Zhao; Yun Tang 001 (J. Chem. Inf. Model., 2021)

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 002; 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 002; Hua Deng; Mengting Huang; Weihua Li 005; Guixia Liu; Philip W. Lee; Yun Tang 001 (J. Cheminformatics, 2023)

Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data. - Srijit Seal; Hongbin Yang 002; Maria-Anna Trapotsi; Satvik Singh; Jordi Carreras Puigvert; Ola Spjuth; Andreas Bender 002 (J. Cheminformatics, 2023)