Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery. - Zi-Yi Yang; Zhi-Jiang Yang; Jie Dong; Liang-Liang Wang; Liu-Xia Zhang; Jun-Jie Ding; Xiao-Qin Ding; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (J. Chem. Inf. Model., 2019)

Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis. - Li Fu; Lu Liu; Zhi-Jiang Yang; Pan Li; Jun-Jie Ding; Yong-Huan Yun; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (J. Chem. Inf. Model., 2020)

Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays. - Zi-Yi Yang; Jie Dong; Zhi-Jiang Yang; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (J. Chem. Inf. Model., 2020)

QSAR-assisted-MMPA to expand chemical transformation space for lead optimization. - Li Fu; Zi-Yi Yang; Zhi-Jiang Yang; Mingzhu Yin; Ai-Ping Lu; Xiang Chen; Shao Liu; Tingjun Hou; Dong-Sheng Cao 001 (Briefings Bioinform., 2021)

Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules. - Chengkun Wu; Xiao-Chen Zhang; Zhi-Jiang Yang; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (Briefings Bioinform., 2021)

ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds. - Zi-Yi Yang; Jie Dong; Zhi-Jiang Yang; Mingzhu Yin; Hong-Li Jiang; Ai-Ping Lu; Xiang Chen; Tingjun Hou; Dong-Sheng Cao 001 (Briefings Bioinform., 2021)

Scopy: an integrated negative design python library for desirable HTS/VS database design. - Zi-Yi Yang; Zhi-Jiang Yang; Ai-Ping Lu; Tingjun Hou; Dong-Sheng Cao 001 (Briefings Bioinform., 2021)

PySmash: Python package and individual executable program for representative substructure generation and application. - Zi-Yi Yang; Zhi-Jiang Yang; Yue Zhao; Mingzhu Yin; Ai-Ping Lu; Xiang Chen; Shao Liu; Tingjun Hou; Dong-Sheng Cao 001 (Briefings Bioinform., 2021)

MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction. - Xiao-Chen Zhang; Chengkun Wu; Zhi-Jiang Yang; Zhen-Xing Wu; Jiacai Yi; Chang-Yu Hsieh; 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)

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)

ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization. - Jiacai Yi; Zi-Yi Yang; Wen-Tao Zhao; Zhi-Jiang Yang; Xiao-Chen Zhang; Chengkun Wu; Ai-Ping Lu; Dong-Sheng Cao 001 (Briefings Bioinform., 2024)