The Impact of Oxygen on Metabolic Evolution: A Chemoinformatic Investigation. - Ying-Ying Jiang; De-Xin Kong; Tao Qin; Xiao Li 010; Gustavo Caetano-Anollés; Hong-yu Zhang (PLoS Comput. Biol., 2012)

Exploring the Biologically Relevant Chemical Space for Drug Discovery. - Zhi-Luo Deng; Cai-Xia Du; Xiao Li 010; Ben Hu; Zheng-Kun Kuang; Rong Wang; Shi-Yu Feng; Hong-yu Zhang; De-Xin Kong (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)

Insights into the Molecular Basis of the Acute Contact Toxicity of Diverse Organic Chemicals in the Honey Bee. - Xiao Li 010; Yuan Zhang; Hongna Chen; Huanhuan Li; Yong Zhao (J. Chem. Inf. Model., 2017)

Machine Learning Modeling and Insights into the Structural Characteristics of Drug-Induced Neurotoxicity. - Xia Zhao; Yuhao Sun; Ruiqiu Zhang; Zhaoyang Chen; Yuqing Hua; Pei Zhang; Huizhu Guo; Xueyan Cui; Xin Huang; Xiao Li 010 (J. Chem. Inf. Model., 2022)

Prediction of Cytochrome P450 Inhibition Using a Deep Learning Approach and Substructure Pattern Recognition. - Zhaoyang Chen; Le Zhang; Pei Zhang; Huizhu Guo; Ruiqiu Zhang; Ling Li; Xiao Li 010 (J. Chem. Inf. Model., 2024)