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RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules.

, , , , , и . Bioinform., 29 (4): 497-498 (2013)

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Inge Curth

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QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method., и . J. Comput. Chem., 18 (2): 182-197 (1997)RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes., , , , , и . Journal of Chemical Information and Modeling, 52 (6): 1637-1659 (2012)RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules., , , , , и . Bioinform., 29 (4): 497-498 (2013)Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression., , , , , , и . Journal of Chemical Information and Computer Sciences, 42 (6): 1347-1357 (2002)Dimensionality Reduction via Sparse Support Vector Machines., , , , и . J. Mach. Learn. Res., (2003)Cadre Modeling: Simultaneously Discovering Subpopulations and Predictive Models., , и . IJCNN, стр. 1-8. IEEE, (2018)Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI)., , , , и . J. Chem. Inf. Model., 46 (2): 844-851 (2006)Predicting Protein-Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods., , и . Journal of Chemical Information and Modeling, 44 (2): 699-703 (2004)Multiple instance ranking., , , и . ICML, том 307 из ACM International Conference Proceeding Series, стр. 48-55. ACM, (2008)Rank Order Entropy: Why One Metric Is Not Enough., , и . Journal of Chemical Information and Modeling, 51 (9): 2302-2319 (2011)