TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine. - Liu-Xia Zhang; Jie Dong; Hui Wei; Shao-Hua Shi; Ai-Ping Lu; Gui-Ming Deng; Dong-Sheng Cao 001 (J. Cheminformatics, 2022)

Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches. - Teng-Zhi Long; Shao-Hua Shi; Shao Liu; Ai-Ping Lu; Zhao-Qian Liu; Min Li 007; Tingjun Hou; Dong-Sheng Cao 001 (J. Chem. Inf. Model., 2023)

Reducing false positive rate of docking-based virtual screening by active learning. - Lei Wang; Shao-Hua Shi; Hui Li; Xiangxiang Zeng; Su-You Liu; Zhao-Qian Liu; Yafeng Deng; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (Briefings Bioinform., 2023)

Predicting Elimination of Small-Molecule Drug Half-Life in Pharmacokinetics Using Ensemble and Consensus Machine Learning Methods. - Jianing Fan; Shao-Hua Shi; Hong Xiang; Li Fu; Yanjing Duan; Dong-Sheng Cao 001; Hongwei Lu (J. Chem. Inf. Model., 2024)

Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. - Teng-Zhi Long; Dejun Jiang 002; Shao-Hua Shi; You-Chao Deng; Wen-Xuan Wang; Dong-Sheng Cao 001 (J. Chem. Inf. Model., 2024)