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Journal of Chemical Health & Safety|July 17, 2023
Comparing LD<sub>50</sub>/LC<sub>50</sub> Machine Learning Models for Multiple SpeciesThomas R Lane, Joshua Harris, Fabio Urbina, et al.
Pharmaceutical Research|May 27, 2020
Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19Nancy Baker, Antony J Williams, Alexander Tropsha, et al.
ACS Chemical Neuroscience|May 24, 2021
Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning ModelFabio Urbina, Kimberley M Zorn, Daniela Brunner, et al.
Drug Metabolism and Disposition: the Biological Fate of Chemicals|December 21, 2004
A novel method for visualizing nuclear hormone receptor networks relevant to drug metabolismSean Ekins, Eugene Kirillov, Eugene A Rakhmatulin, et al.
Scientific Reports|April 15, 2020
Cheminformatics Analysis and Modeling with MacrolactoneDBPhyo Phyo Kyaw Zin, Gavin J Williams, Sean Ekins
Methods in Molecular Biology (Clifton, N.J.)|September 22, 2006
Pathway mapping tools for analysis of high content dataSean Ekins, Yuri Nikolsky, Andrej Bugrim, et al.
Molecular Pharmaceutics|August 14, 2009
Computational models for drug inhibition of the human apical sodium-dependent bile acid transporterXiaowan Zheng, Sean Ekins, Jean-Pierre Raufman, et al.
Molecular Pharmacology|February 28, 2003
Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1Dallas Bednarczyk, Sean Ekins, James H Wikel, et al.
Drug Metabolism and Disposition: the Biological Fate of Chemicals|October 8, 2025
Applicability domain-expansion studies for machine learning models reveal new inhibitors of CYP2B6Patricia A Vignaux, Joshua S Harris, Fabio Urbina, et al.
Methods in Molecular Biology (Clifton, N.J.)|September 26, 2012
Accessing, using, and creating chemical property databases for computational toxicology modelingAntony J Williams, Sean Ekins, Ola Spjuth, et al.
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