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Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers.

, , , , and . J. Cheminformatics, 6 (1): 29 (2014)

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Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers., , , , and . J. Cheminformatics, 6 (1): 29 (2014)Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis., , , and . Journal of Chemical Information and Modeling, 53 (6): 1294-1305 (2013)Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules., , , , , , , , , and 1 other author(s). J. Cheminformatics, 5 (S-1): 12 (2013)Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators, , , and . J. Chem. Inf. Comput. Sci., 44 (2): 462--469 (2004)How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?, , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 53 (2): 354-367 (2013)ChemSem: An Extensible and Scalable RSS-Based Seminar Alerting System for Scientific Collaboration., , and . Journal of Chemical Information and Modeling, 46 (3): 985-990 (2006)FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes., , , , , , , and . Journal of Chemical Information and Modeling, 53 (11): 2896-2907 (2013)Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms., , , , , , and . J. Chem. Inf. Model., 52 (3): 617-648 (2012)SSIPTools: Software and Methodology for Surface Site Interaction Point (SSIP) Approach and Applications., , , , and . J. Chem. Inf. Model., 61 (11): 5331-5335 (2021)