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Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance., , , and . Journal of Chemical Information and Modeling, 44 (5): 1708-1718 (2004)Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)., , , and . SMC (5), page 4553-4558. IEEE, (2004)Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds., , , , , , and . Journal of Computer-Aided Molecular Design, 21 (5): 269-280 (2007)General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural Networks., , and . Journal of Chemical Information and Modeling, 45 (3): 581-590 (2005)A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication., and . Journal of Chemical Information and Modeling, 45 (5): 1369-1375 (2005)Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets., , and . Journal of Chemical Information and Modeling, 55 (7): 1413-1425 (2015)Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms., , , , , , and . Journal of Chemical Information and Modeling, 52 (3): 617-648 (2012)Alpha Shapes Applied to Molecular Shape Characterization Exhibit Novel Properties Compared to Established Shape Descriptors., , , and . Journal of Chemical Information and Modeling, 49 (10): 2231-2241 (2009)Substructure Mining of GPCR Ligands Reveals Activity-Class Specific Functional Groups in an Unbiased Manner., , , and . Journal of Chemical Information and Modeling, 49 (2): 348-360 (2009)Random forest Gini importance favours SNPs with large minor allele frequency: impact, sources and recommendations., , , and . Briefings in Bioinformatics, 13 (3): 292-304 (2012)