XenoNet: Inference and Likelihood of Intermediate Metabolite Formation. - Noah R. Flynn; Na Le Dang; Michael D. Ward; S. Joshua Swamidass (J. Chem. Inf. Model., 2020)

Metabolic Forest: Predicting the Diverse Structures of Drug Metabolites. - Tyler B. Hughes; Na Le Dang; Ayush Kumar; Noah R. Flynn; S. Joshua Swamidass (J. Chem. Inf. Model., 2020)

Cal-Net: Jointly Learning Classification and Calibration On Imbalanced Binary Classification Tasks. - Arghya Datta; Noah R. Flynn; S. Joshua Swamidass (IJCNN, 2021)

Machine learning liver-injuring drug interactions with non-steroidal anti-inflammatory drugs (NSAIDs) from a retrospective electronic health record (EHR) cohort. - Arghya Datta; Noah R. Flynn; Dustyn A. Barnette; Keith F. Woeltje; Grover P. Miller; S. Joshua Swamidass (PLoS Comput. Biol., 2021)

Message Passing Neural Networks Improve Prediction of Metabolite Authenticity. - Noah R. Flynn; S. Joshua Swamidass (J. Chem. Inf. Model., 2023)