VFFDT: A New Software for Preparing AMBER Force Field Parameters for Metal-Containing Molecular Systems. - Suqing Zheng; Qing Tang; Jian He; Shiyu Du; Shaofang Xu; Chaojie Wang 004; Yong Xu; Fu Lin (J. Chem. Inf. Model., 2016)

Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting Its Intrinsic Contribution to Hydrogen-Bonding Strength. - Suqing Zheng; Shaofang Xu; Guitao Wang; Qing Tang; Xiaonan Jiang; Zhanting Li; Yong Xu; Renxiao Wang; Fu Lin (J. Chem. Inf. Model., 2017)

Computational Prediction of a New ADMET Endpoint for Small Molecules: Anticommensal Effect on Human Gut Microbiota. - Suqing Zheng; Wenping Chang; Wenxin Liu; Guang Liang; Yong Xu; Fu Lin (J. Chem. Inf. Model., 2019)

Quantitative Prediction of Hemolytic Toxicity for Small Molecules and Their Potential Hemolytic Fragments by Machine Learning and Recursive Fragmentation Methods. - Suqing Zheng; Jun Xiong; Yibing Wang; Guang Liang; Yong Xu; Fu Lin (J. Chem. Inf. Model., 2020)

Consensus Prediction of Human Gut Microbiota-Mediated Metabolism Susceptibility for Small Molecules by Machine Learning, Structural Alerts, and Dietary Compounds-Based Average Similarity Methods. - Suqing Zheng; Lei Wang; Jun Xiong; Guang Liang; Yong Xu; Fu Lin (J. Chem. Inf. Model., 2022)