| Open source drug discovery with the malaria box compound collection for neglected diseases and beyond WC Van Voorhis, JH Adams, R Adelfio, V Ahyong, MH Akabas, P Alano, ... PLoS pathogens 12 (7), e1005763, 2016 | 294 | 2016 |
| Modeling epoxidation of drug-like molecules with a deep machine learning network TB Hughes, GP Miller, SJ Swamidass ACS central science 1 (4), 168-180, 2015 | 185 | 2015 |
| Modeling reactivity to biological macromolecules with a deep multitask network TB Hughes, NL Dang, GP Miller, SJ Swamidass ACS central science 2 (8), 529-537, 2016 | 97 | 2016 |
| Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione TB Hughes, GP Miller, SJ Swamidass Chemical research in toxicology 28 (4), 797-809, 2015 | 91 | 2015 |
| XenoSite server: a web-available site of metabolism prediction tool MK Matlock, TB Hughes, SJ Swamidass Bioinformatics 31 (7), 1136-1137, 2015 | 81 | 2015 |
| Generation of toxic degradation products by sonication of Pluronic® dispersants: Implications for nanotoxicity testing R Wang, T Hughes, S Beck, S Vakil, S Li, P Pantano, RK Draper Nanotoxicology 7 (7), 1272-1281, 2013 | 78 | 2013 |
| Deep learning to predict the formation of quinone species in drug metabolism TB Hughes, SJ Swamidass Chemical research in toxicology 30 (2), 642-656, 2017 | 76 | 2017 |
| Enhancer sequence variants and transcription-factor deregulation synergize to construct pathogenic regulatory circuits in B-cell lymphoma OI Koues, RA Kowalewski, LW Chang, SC Pyfrom, JA Schmidt, H Luo, ... Immunity 42 (1), 186-198, 2015 | 76 | 2015 |
| A simple model predicts UGT-mediated metabolism NL Dang, TB Hughes, V Krishnamurthy, SJ Swamidass Bioinformatics 32 (20), 3183-3189, 2016 | 68 | 2016 |
| Modeling small-molecule reactivity identifies promiscuous bioactive compounds MK Matlock, TB Hughes, JL Dahlin, SJ Swamidass Journal of chemical information and modeling 58 (8), 1483-1500, 2018 | 39 | 2018 |
| A Computational Approach to Structural Alerts: Furans, Phenols, Nitroaromatics, and Thiophenes. NL Dang, TB Hughes, GP Miller, SJ Swamidass Chemical Research in Toxicology, DOI: 10.1021/acs.chemrestox.6b00336, 2017 | 39 | 2017 |
| Computationally assessing the bioactivation of drugs by N-dealkylation NL Dang, TB Hughes, GP Miller, SJ Swamidass Chemical research in toxicology 31 (2), 68-80, 2018 | 34 | 2018 |
| The Metabolic Rainbow: Deep Learning Phase I Metabolism in Five Colors NL Dang, MK Matlock, TB Hughes, SJ Swamidass Journal of chemical information and modeling 60 (3), 1146-1164, 2020 | 30 | 2020 |
| Lamisil (terbinafine) toxicity: Determining pathways to bioactivation through computational and experimental approaches DA Barnette, MA Davis, NL Dang, AS Pidugu, T Hughes, SJ Swamidass, ... Biochemical pharmacology 156, 10-21, 2018 | 22 | 2018 |
| Extending P450 site-of-metabolism models with region-resolution data JM Zaretzki, MR Browning, TB Hughes, SJ Swamidass Bioinformatics 31 (12), 1966-1973, 2015 | 19 | 2015 |
| Modeling the Bioactivation and Subsequent Reactivity of Drugs TB Hughes, N Flynn, NL Dang, SJ Swamidass Chemical Research in Toxicology 34 (2), 584-600, 2021 | 12 | 2021 |
| 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 | 12 | 2020 |
| Quantitation of cell-associated carbon nanotubes: Selective binding and accumulation of carboxylated carbon nanotubes by macrophages R Wang, M Lee, K Kinghorn, T Hughes, I Chuckaree, R Lohray, E Chow, ... Nanotoxicology 12 (7), 677-698, 2018 | 11 | 2018 |
S Joshua SwamidassAssociate Professor of Pathology and Immunology, Washington University in St. LouisVerified email at wustl.edu
