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Drug Metabolism and Disposition: the Biological Fate of Chemicals|May 6, 2026
MegaTrans-machine learning models for drug transporters corresponding to the FDA guidancePatricia A Vignaux, Melanie Tojong, Alexander Kyu, et al.Journal of Medicinal Chemistry|February 9, 2008
Design, synthesis, cytoselective toxicity, structure-activity relationships, and pharmacophore of thiazolidinone derivatives targeting drug-resistant lung cancer cellsHongyu Zhou, Shuhong Wu, Shumei Zhai, et al.Pharmaceutical Research|July 15, 2020
Machine Learning Platform to Discover Novel Growth Inhibitors of Neisseria gonorrhoeaeJanaina Cruz Pereira, Samer S Daher, Kimberley M Zorn, et al.Journal of Chemical Information and Modeling|July 21, 2021
Development of Machine Learning Models and the Discovery of a New Antiviral Compound against Yellow Fever VirusVictor O Gawriljuk, Daniel H Foil, Ana C Puhl, et al.ACS Infectious Diseases|October 19, 2019
Intrabacterial Metabolism Obscures the Successful Prediction of an InhA Inhibitor of Mycobacterium tuberculosisXin Wang, Alexander L Perryman, Shao-Gang Li, et al.Antimicrobial Agents and Chemotherapy|November 15, 2017
Efficacy of Tilorone Dihydrochloride against Ebola Virus InfectionSean Ekins, Mary A Lingerfelt, Jason E Comer, et al.Molecular Pharmaceutics|April 20, 2018
Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug DiscoveryThomas Lane, Daniel P Russo, Kimberley M Zorn, et al.Molecular Genetics and Metabolism|January 23, 2026
Enzyme replacement therapy for CLN1 batten disease that crosses the blood-brain-barrierRenuka Raman, Ben Horst, Zahra Shahrokh, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|July 3, 2004
Kohonen maps for prediction of binding to human cytochrome P450 3A4Konstantin V Balakin, Sean Ekins, Andrey Bugrim, et al.The Journal of Pharmacology and Experimental Therapeutics|August 8, 2025
Experimental and computational approaches for evaluating molecule interactions with equilibrative nucleoside transporters 1 and 2Lucy J Martinez-Guerrero, Patricia A Vignaux, Dominique O Farrera, et al.Pageof 36