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Pharmaceutical Research|July 16, 2009
Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptorsDmitriy Chekmarev, Vladyslav Kholodovych, Sandhya Kortagere, et al.Drug Discovery Today|March 20, 2019
New targets for HIV drug discoveryAna C Puhl, Alfredo Garzino Demo, Vadim A Makarov, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|April 9, 2024
In Vitro Characterization and Rescue of VX Metabolism in Human Liver MicrosomesThomas R Lane, David Koebel, Eric Lucas, et al.European Journal of Medicinal Chemistry|December 28, 2019
Novel pleconaril derivatives: Influence of substituents in the isoxazole and phenyl rings on the antiviral activity against enterovirusesAnna Egorova, Elena Kazakova, Birgit Jahn, et al.Molecules (Basel, Switzerland)|March 20, 2020
The Evolution of Pleconaril: Modified O-Alkyl Linker Analogs Have Biological Activity towards Coxsackievirus B3 NancyAlexandrina Volobueva, Anna Egorova, Anastasia Galochkina, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|May 25, 2017
Rosuvastatin and Atorvastatin Are Ligands of the Human Constitutive Androstane Receptor/Retinoid X Receptor α ComplexTadeja Režen, Mateja Hafner, Sandhya Kortagere, et al.Journal of Medicinal Chemistry|April 8, 2020
Molecule Property Analyses of Active Compounds for Mycobacterium tuberculosisVadim Makarov, Elena Salina, Robert C Reynolds, et al.Molecular Pharmaceutics|May 19, 2020
Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI)Eni Minerali, Daniel H Foil, Kimberley M Zorn, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|September 3, 2025
DDI-CYP: Metabolism ensemble models for drug-drug interaction predictionsJason T Wong, Joshua S Harris, Thomas R Lane, et al.Drug Discovery Today|February 24, 2009
Novel web-based tools combining chemistry informatics, biology and social networks for drug discoveryMoses Hohman, Kellan Gregory, Kelly Chibale, et al.Pageof 36