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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)Avoiding C-hacking when evaluating survival distribution predictions with discrimination measures., , and . Bioinform., 38 (17): 4178-4184 (2022)Using a Human Disease Network for augmenting prior knowledge about diseases., , and . Intell. Data Anal., 19 (4): 897-916 (2015)Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds., , , , , , and . J. Comput. Aided Mol. Des., 21 (5): 269-280 (2007)General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural Networks., , and . J. Chem. Inf. Model., 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 . J. Chem. Inf. Model., 45 (5): 1369-1375 (2005)Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty., , , , , , and . J. Chem. Inf. Model., 58 (5): 1132-1140 (2018)Substructure Mining of GPCR Ligands Reveals Activity-Class Specific Functional Groups in an Unbiased Manner., , , and . J. Chem. Inf. Model., 49 (2): 348-360 (2009)Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets., , and . J. Chem. Inf. Model., 55 (7): 1413-1425 (2015)Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms., , , , , , and . J. Chem. Inf. Model., 52 (3): 617-648 (2012)