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Molecular Pharmaceutics|December 16, 2020
Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug DiscoveryThomas R Lane, Daniel H Foil, Eni Minerali, et al.
Chemical Research in Toxicology|May 9, 2008
Shape signatures: new descriptors for predicting cardiotoxicity in silicoDmitriy S Chekmarev, Vladyslav Kholodovych, Konstantin V Balakin, et al.
ACS Omega|March 18, 2024
Identification of New Modulators and Inhibitors of Palmitoyl-Protein Thioesterase 1 for CLN1 Batten Disease and CancerAna C Puhl, Renuka Raman, Tammy M Havener, et al.
BMC Emergency Medicine|April 30, 2009
Using molecular similarity to highlight the challenges of routine immunoassay-based drug of abuse/toxicology screening in emergency medicineMatthew D Krasowski, Anthony F Pizon, Mohamed G Siam, et al.
Mbio|February 3, 2011
Essential metabolites of Mycobacterium tuberculosis and their mimicsGyanu Lamichhane, Joel S Freundlich, Sean Ekins, et al.
ACS Chemical Neuroscience|August 2, 2024
Predicting the Hallucinogenic Potential of Molecules Using Artificial IntelligenceFabio Urbina, Thane Jones, Joshua S Harris, et al.
Expert Opinion on Drug Metabolism & Toxicology|August 23, 2006
Computational prediction of human drug metabolismSean Ekins, Sergey Andreyev, Andy Ryabov, et al.
Clinical Chemistry|April 4, 2009
Chemoinformatic methods for predicting interference in drug of abuse/toxicology immunoassaysMatthew D Krasowski, Mohamed G Siam, Manisha Iyer, et al.
BMC Clinical Pathology|July 30, 2014
Cross-reactivity of steroid hormone immunoassays: clinical significance and two-dimensional molecular similarity predictionMatthew D Krasowski, Denny Drees, Cory S Morris, et al.
Chemical Research in Toxicology|January 15, 2025
Metabolic Characterization of Sarin, Cyclosarin, and Novichoks (A-230, A-232) in Human Liver MicrosomesThomas R Lane, David D Koebel, Eric A Lucas, et al.
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