Recursive Random Forests Enable Better Predictive Performance and Model Interpretation than Variable Selection by LASSO. - Xiang-Wei Zhu; Yan-Jun Xin; Hui-Lin Ge (J. Chem. Inf. Model., 2015)

mixtox: An R Package for Mixture Toxicity Assessment. - Xiang-Wei Zhu; Jian-Yi Chen (R J., 2016)

All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC50s for 8558 Novartis Assays. - Eric J. Martin; Valery R. Polyakov; Xiang-Wei Zhu; Li Tian; Prasenjit Mukherjee; Xin Liu (J. Chem. Inf. Model., 2019)

Collaborative Profile-QSAR: A Natural Platform for Building Collaborative Models among Competing Companies. - Eric J. Martin; Xiang-Wei Zhu (J. Chem. Inf. Model., 2021)

Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset. - Xiang-Wei Zhu; Valery R. Polyakov; Krishna Bajjuri; Huiyong Hu; Andreas Maderna; Clare A. Tovee; Suzanna C. Ward (J. Chem. Inf. Model., 2023)