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Journal of Chemical Information and Modeling|May 25, 2021
Quantum Machine Learning Algorithms for Drug Discovery ApplicationsKushal Batra, Kimberley M Zorn, Daniel H Foil, et al.ACS Chemical Neuroscience|December 12, 2024
Discovery of Dual Targeting GSK-3β/HIV-1 Reverse Transcriptase Inhibitors as Neuroprotective Antiviral AgentsThane Jones, Renuka Raman, Ana C Puhl, et al.Journal of Cheminformatics|May 25, 2019
Capturing mixture composition: an open machine-readable format for representing mixed substancesAlex M Clark, Leah R McEwen, Peter Gedeck, et al.ACS Omega|September 9, 2021
Using Machine Learning to Parse Chemical Mixture DescriptionsAlex M Clark, Peter Gedeck, Philip P Cheung, et al.Journal of Pharmacological and Toxicological Methods|November 3, 2009
Chemical target and pathway toxicity mechanisms defined in primary human cell systemsEllen L Berg, Jian Yang, Jennifer Melrose, et al.Bioorganic & Medicinal Chemistry|March 20, 2023
The protein disulfide isomerase inhibitor 3-methyltoxoflavin inhibits Chikungunya virusAna C Puhl, Rafaela S Fernandes, Andre S Godoy, et al.Current Medical Research and Opinion|November 27, 2008
A retrospective randomized study of asthma control in the US: results of the CHARIOT studyPhilip Marcus, Renée J G Arnold, Sean Ekins, et al.Molecular Pharmacology|June 27, 2008
Computational discovery of novel low micromolar human pregnane X receptor antagonistsSean Ekins, Vladyslav Kholodovych, Ni Ai, et al.Chemical Research in Toxicology|January 5, 2021
The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of AcetylcholinesterasePatricia A Vignaux, Eni Minerali, Thomas R Lane, et al.F1000Research|October 21, 2016
Illustrating and homology modeling the proteins of the Zika virusSean Ekins, John Liebler, Bruno J Neves, et al.Pageof 37