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Cadre Modeling: Simultaneously Discovering Subpopulations and Predictive Models.

, , and . IJCNN, page 1-8. IEEE, (2018)

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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., and . J. Comput. Chem., 18 (2): 182-197 (1997)RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes., , , , , and . 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., , , , , and . Bioinform., 29 (4): 497-498 (2013)Predicting Protein-Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods., , and . Journal of Chemical Information and Modeling, 44 (2): 699-703 (2004)Multiple instance ranking., , , and . ICML, volume 307 of ACM International Conference Proceeding Series, page 48-55. ACM, (2008)Rank Order Entropy: Why One Metric Is Not Enough., , and . Journal of Chemical Information and Modeling, 51 (9): 2302-2319 (2011)Exploiting Domain Knowledge for Improved Quantitative High-Throughput Screening Curve Fitting., , , , and . Journal of Chemical Information and Modeling, 51 (11): 2808-2820 (2011)Data Fusion and Auto-fusion for Quantitative Structure-Activity Relationship (QSAR)., , , and . ICANN (1), volume 4668 of Lecture Notes in Computer Science, page 628-637. Springer, (2007)Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI)., , , , and . Journal of Chemical Information and Modeling, 46 (2): 844-851 (2006)Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression., , , , , , and . Journal of Chemical Information and Computer Sciences, 42 (6): 1347-1357 (2002)