Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring. - Wenling Ye; Chao Shen 008; Guo-Li Xiong; Jun-Jie Ding; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (J. Chem. Inf. Model., 2020)

Improving structure-based virtual screening performance via learning from scoring function components. - Guo-Li Xiong; Wenling Ye; Chao Shen 008; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (Briefings Bioinform., 2021)

Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors. - Yue Zhao; Xiang-Gui Wang; Zhong-Ye Ma; Guo-Li Xiong; Zhi-Jiang Yang; Yan Cheng; Ai-Ping Lu; Zhi-Jun Huang; Dong-Sheng Cao 001 (Briefings Bioinform., 2021)

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. - Guo-Li Xiong; Zhenxing Wu; Jiacai Yi; Li Fu; Zhi-Jiang Yang; Chang-Yu Hsieh; Mingzhu Yin; Xiangxiang Zeng; Chengkun Wu; Ai-Ping Lu; Xiang Chen; Tingjun Hou; et al. (Nucleic Acids Res., 2021)

Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes. - Ning-Ning Wang; Xiang-Gui Wang; Guo-Li Xiong; Zi-Yi Yang; Ai-Ping Lu; Xiang Chen; Shao Liu; Tingjun Hou; Dong-Sheng Cao 001 (J. Cheminformatics, 2022)

DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety. - Guo-Li Xiong; Zhi-Jiang Yang; Jiacai Yi; Ningning Wang; Lei Wang; Huimin Zhu; Chengkun Wu; Ai-Ping Lu; Xiang Chen; Shao Liu; Tingjun Hou; Dongsheng Cao 001 (Nucleic Acids Res., 2022)