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Environmental Science & Technology|June 27, 2025
Machine Learning and Large Language Models for Modeling Complex Toxicity Pathways and Predicting SteroidogenesisThomas R Lane, Patricia A Vignaux, Joshua S Harris, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|December 30, 2006
Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitorsSean Ekins, Dayna C Mankowski, Dennis J Hoover, et al.Journal of Biomolecular Screening|September 17, 2002
Optimizing higher throughput methods to assess drug-drug interactions for CYP1A2, CYP2C9, CYP2C19, CYP2D6, rCYP2D6, and CYP3A4 in vitro using a single point IC(50)Feng Gao, Diane L Johnson, Sean Ekins, et al.Pharmaceutical Research|July 1, 2018
Naïve Bayesian Models for Vero Cell CytotoxicityAlexander L Perryman, Jimmy S Patel, Riccardo Russo, et al.Chemical Research in Toxicology|February 16, 2010
Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibitionMichael Zientek, Chad Stoner, Robyn Ayscue, et al.Pharmaceutical Research|April 23, 2005
In vitro and pharmacophore-based discovery of novel hPEPT1 inhibitorsSean Ekins, Jeffrey S Johnston, Praveen Bahadduri, et al.Molecular Pharmacology|September 10, 2021
Remdesivir and EIDD-1931 Interact with Human Equilibrative Nucleoside Transporters 1 and 2: Implications for Reaching SARS-CoV-2 Viral Sanctuary SitesSiennah R Miller, Meghan E McGrath, Kimberley M Zorn, et al.Journal of Chemical Information and Modeling|July 16, 2024
Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug DiscoveryMatthew A Dorsey, Kelvin Dsouza, Dhruv Ranganath, et al.Chemical Research in Toxicology|August 31, 2023
Human CYP2C19 Substrate and Inhibitor Characterization of Organophosphate PesticidesPatricia A Vignaux, Pratik Shriwas, Andre Revnew, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|May 13, 2021
Multiple Computational Approaches for Predicting Drug Interactions with Human Equilibrative Nucleoside Transporter 1Siennah R Miller, Thomas R Lane, Kimberley M Zorn, et al.Pageof 37