| Machine learning liver-injuring drug interactions with non-steroidal anti-inflammatory drugs (NSAIDs) from a retrospective electronic health record (EHR) cohort A Datta*, NR Flynn*, DA Barnette, KF Woeltje, GP Miller, SJ Swamidass PLOS Computational Biology 17 (7), e1009053, 2021 | 52 | 2021 |
| The Amazon Nova family of models: Technical report and model card AAG Intelligence Amazon Science, 2024 | 43 | 2024 |
| Meloxicam methyl group determines enzyme specificity for thiazole bioactivation compared to sudoxicam DA Barnette, MA Schleiff, A Datta, N Flynn, SJ Swamidass, GP Miller Toxicology letters 338, 10-20, 2021 | 34 | 2021 |
| XenoNet: inference and likelihood of intermediate metabolite formation NR Flynn, NL Dang, MD Ward, SJ Swamidass Journal of chemical information and modeling 60 (7), 3431-3449, 2020 | 27 | 2020 |
| Dual mechanisms suppress meloxicam bioactivation relative to sudoxicam DA Barnette, MA Schleiff, LR Osborn, N Flynn, M Matlock, SJ Swamidass, ... Toxicology 440, 152478, 2020 | 23 | 2020 |
| CYP2C19 and 3A4 dominate metabolic clearance and bioactivation of terbinafine based on computational and experimental approaches MA Davis, DA Barnette, NR Flynn, AS Pidugu, SJ Swamidass, G Boysen, ... Chemical research in toxicology 32 (6), 1151-1164, 2019 | 22 | 2019 |
| Modeling the Bioactivation and Subsequent Reactivity of Drugs TB Hughes*, N Flynn*, NL Dang, SJ Swamidass Chemical Research in Toxicology, 2021 | 21 | 2021 |
| Comprehensive kinetic and modeling analyses revealed CYP2C9 and 3A4 determine terbinafine metabolic clearance and bioactivation DA Barnette, MA Davis, N Flynn, AS Pidugu, SJ Swamidass, GP Miller Biochemical pharmacology 170, 113661, 2019 | 19 | 2019 |
| Metabolic forest: predicting the diverse structures of drug metabolites TB Hughes, NL Dang, A Kumar, NR Flynn, SJ Swamidass Journal of chemical information and modeling 60 (10), 4702-4716, 2020 | 17 | 2020 |
| Significance of multiple bioactivation pathways for meclofenamate as revealed through modeling and reaction kinetics MA Schleiff, NR Flynn, S Payakachat, BM Schleiff, AO Pinson, ... Drug Metabolism and Disposition 49 (2), 133-141, 2021 | 12 | 2021 |
| SEACrowd: A multilingual multimodal data hub and benchmark suite for Southeast Asian languages H Lovenia, R Mahendra, SM Akbar, LJV Miranda, J Santoso, E Aco, ... Proceedings of the 2024 Conference on Empirical Methods in Natural Language …, 2024 | 11 | 2024 |
| Cal-net: Jointly learning classification and calibration on imbalanced binary classification tasks A Datta, NR Flynn, SJ Swamidass 2021 International Joint Conference on Neural Networks (IJCNN), 1-8, 2021 | 11 | 2021 |
| Message passing neural networks improve prediction of metabolite authenticity NR Flynn, SJ Swamidass Journal of chemical information and modeling 63 (6), 1675-1694, 2023 | 9 | 2023 |
| Bioactivation of Isoxazole-Containing Bromodomain and Extra-Terminal Domain (BET) Inhibitors NR Flynn, MD Ward, MA Schleiff, CMC Laurin, R Farmer, SJ Conway, ... Metabolites, 2021 | 3 | 2021 |
| Advancements in computational studies of drug toxicity NR Flynn, GP Miller, SJ Swamidass Frontiers in Pharmacology 14, 1230409, 2023 | 1 | 2023 |
| Discovery of Novel Reductive Elimination Pathway for 10-Hydroxywarfarin DL Pouncey, DA Barnette, RW Sinnott, SJ Phillips, NR Flynn, ... Frontiers in Pharmacology, 3977, 2022 | 1 | 2022 |
| Deep Learning for Drug Discovery: A Case Study in Kinase Inhibitors for Anti-Cancer Therapies N Flynn NeurIPS 2025 Education Program, 2025 | | 2025 |
| Machine Learning for Drug Discovery N Flynn | | 2025 |
| Computational Approaches for Screening Drugs for Bioactivation, Reactive Metabolite Formation, and Toxicity N Flynn Washington University in St. Louis, 2021 | | 2021 |
| COMPASS: COntinual Multilingual PEFT with Adaptive Semantic Sampling N Flynn Transactions on Machine Learning Research, 0 | | |
