admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties. - Feixiong Cheng; Weihua Li 005; Yadi Zhou; Jie Shen 006; Zengrui Wu; Guixia Liu; Philip W. Lee; Yun Tang 001 (J. Chem. Inf. Model., 2012)

Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space. - Feixiong Cheng; Weihua Li 005; Zengrui Wu; Xichuan Wang; Chen Zhang; Jie Li; Guixia Liu; Yun Tang 001 (J. Chem. Inf. Model., 2013)

Adverse Drug Events: Database Construction and in Silico Prediction. - Feixiong Cheng; Weihua Li 005; Xichuan Wang; Yadi Zhou; Zengrui Wu; Jie Shen 006; Yun Tang 001 (J. Chem. Inf. Model., 2013)

In Silico Prediction of Chemical Acute Oral Toxicity Using Multi-Classification Methods. - Xiao Li 010; Lei Chen 019; Feixiong Cheng; Zengrui Wu; Hanping Bian; Congying Xu; Weihua Li 005; Guixia Liu; Xu Shen; Yun Tang 001 (J. Chem. Inf. Model., 2014)

SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning. - Zengrui Wu; Feixiong Cheng; Jie Li; Weihua Li 005; Guixia Liu; Yun Tang 001 (Briefings Bioinform., 2017)

Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy. - Jiansong Fang; Zengrui Wu; Chuipu Cai; Qi Wang; Yun Tang 001; Feixiong Cheng (J. Chem. Inf. Model., 2017)

Correction to "admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties". - Feixiong Cheng; Weihua Li 005; Yadi Zhou; Jie Shen 006; Zengrui Wu; Guixia Liu; Philip W. Lee; Yun Tang 001 (J. Chem. Inf. Model., 2019)

Insights into the antineoplastic mechanism of Chelidonium majus via systems pharmacology approach. - Xinzhe Xiao; Zehui Chen; Zengrui Wu; Tianduanyi Wang; Weihua Li 005; Guixia Liu; Bo Zhang; Yun Tang 001 (Quant. Biol., 2019)

Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor. - Yue Chen; Junhao Li; Zengrui Wu; Guixia Liu; Honglin Li 003; Yun Tang 001; Weihua Li 005 (J. Chem. Inf. Model., 2020)

Computational Insights into Molecular Activation and Positive Cooperative Mechanisms of FFAR1 Modulators. - Dan Teng; Jianhui Chen; Dongping Li; Zengrui Wu; Weihua Li 005; Yun Tang 001; Guixia Liu (J. Chem. Inf. Model., 2020)

NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods. - Zengrui Wu; Yayuan Peng; Zhuohang Yu; Weihua Li 005; Guixia Liu; Yun Tang 001 (J. Chem. Inf. Model., 2020)

Drug repositioning by prediction of drug's anatomical therapeutic chemical code via network-based inference approaches. - Yayuan Peng; Manjiong Wang; Yixiang Xu; Zengrui Wu; Jiye Wang; Chao Zhang; Guixia Liu; Weihua Li 005; Jian Li; Yun Tang 001 (Briefings Bioinform., 2021)

MetaADEDB 2.0: a comprehensive database on adverse drug events. - Zhuohang Yu; Zengrui Wu; Weihua Li 005; Guixia Liu; Yun Tang 001 (Bioinform., 2021)

Pathway-Based Drug Repurposing with DPNetinfer: A Method to Predict Drug-Pathway Associations via Network-Based Approaches. - Jiye Wang; Zengrui Wu; Yayuan Peng; Weihua Li 005; Guixia Liu; Yun Tang 001 (J. Chem. Inf. Model., 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; Jiye Wang; Weihua Li 005; Guixia Liu; Yi Yang 075; Yuzheng Zhao; Yun Tang 001 (J. Chem. Inf. Model., 2021)

SMINBR: An Integrated Network and Chemoinformatics Tool Specialized for Prediction of Two-Component Crystal Formation. - Lulu Zheng; Bin Zhu 012; Zengrui Wu; Fang Liang; Minghuang Hong; Guixia Liu; Weihua Li 005; Guobin Ren; Yun Tang 001 (J. Chem. Inf. Model., 2021)

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)

ADENet: a novel network-based inference method for prediction of drug adverse events. - Zhuohang Yu; Zengrui Wu; Weihua Li 005; Guixia Liu; 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)

Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking. - Dongping Li; Kexin Jiang; Dan Teng; Zengrui Wu; Weihua Li 005; Yun Tang 001; Rui Wang; Guixia Liu (J. Chem. Inf. Model., 2022)

Identification of vital chemical information via visualization of graph neural networks. - Yimeng Wang; Mengting Huang; Hua Deng; Weihua Li 005; Zengrui Wu; Yun Tang 001; Guixia Liu (Briefings Bioinform., 2023)

Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods. - Moran Zhou; Jiamin Sun; Zhuohang Yu; Zengrui Wu; Weihua Li 005; Guixia Liu; Lei Ma; Rui Wang; Yun Tang 001 (J. Chem. Inf. Model., 2023)

Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations. - Lulu Zheng; Bin Zhu 012; Zengrui Wu; Mei Guo; Jinyao Chen; Minghuang Hong; Guixia Liu; Weihua Li 005; Guobin Ren; Yun Tang 001 (J. Chem. Inf. Model., 2023)

mtADENet: A novel interpretable method integrating multiple types of network-based inference approaches for prediction of adverse drug events. - Zhuohang Yu; Zengrui Wu; Moran Zhou; Long Chen; Weihua Li 005; Guixia Liu; Yun Tang 001 (Comput. Biol. Medicine, 2024)

Network-Based Methods and Their Applications in Drug Discovery. - Zhuohang Yu; Zengrui Wu; Ze Wang; Yimeng Wang; Moran Zhou; Weihua Li 005; Guixia Liu; Yun Tang 001 (J. Chem. Inf. Model., 2024)