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Pharmaceutical Research|September 12, 2007
Computational models to assign biopharmaceutics drug disposition classification from molecular structureAkash Khandelwal, Praveen M Bahadduri, Cheng Chang, et al.Biochemical and Biophysical Research Communications|March 20, 2014
Inhibition of Mycobacterium tuberculosis topoisomerase I by m-AMSA, a eukaryotic type II topoisomerase poisonAdwait Anand Godbole, Wareed Ahmed, Rajeshwari Subray Bhat, et al.Molecular Pharmaceutics|December 28, 2018
Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational ApproachesPan-Fen Wang, Alicia Neiner, Thomas R Lane, et al.Current Research in Toxicology|November 10, 2022
Confirmation of high-throughput screening data and novel mechanistic insights into FXR-xenobiotic interactions by orthogonal assaysJon Hamm, Debabrata Mahapatra, Megan M Knuth, et al.The Journal of Steroid Biochemistry and Molecular Biology|April 9, 2008
Ligand specificity and evolution of liver X receptorsErica J Reschly, Ni Ai, William J Welsh, et al.Molecular Pharmaceutics|February 20, 2019
Multiple Machine Learning Comparisons of HIV Cell-based and Reverse Transcriptase Data SetsKimberley M Zorn, Thomas R Lane, Daniel P Russo, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|May 29, 2008
A comprehensive in vitro and in silico analysis of antibiotics that activate pregnane X receptor and induce CYP3A4 in liver and intestineKazuto Yasuda, Aarati Ranade, Raman Venkataramanan, et al.Chemical Research in Toxicology|June 13, 2008
Machine learning methods and docking for predicting human pregnane X receptor activationAkash Khandelwal, Matthew D Krasowski, Erica J Reschly, et al.Journal of Chemical Information and Modeling|March 27, 2014
Looking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosisSean Ekins, Richard Pottorf, Robert C Reynolds, et al.Journal of Medicinal Chemistry|November 22, 2014
Parallel worlds of public and commercial bioactive chemistry dataChristopher A Lipinski, Nadia K Litterman, Christopher Southan, et al.Pageof 36