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Using Reaction Mechanism to Measure Enzyme Similarity, , , and . Journal of Molecular Biology, 368 (5): 1484--1499 (May 18, 2007)Predicting the protein targets for athletic performance-enhancing substances., and . J. Cheminformatics, (2013)Applications of crystal structure prediction – organic molecular structures: general discussion, , , , , , , , , and 19 other author(s). Faraday Discussions, (2018)Melting Point Prediction Employing k-Nearest Neighbor Algorithms and Genetic Parameter Optimization., , , , , and . J. Chem. Inf. Model., 46 (6): 2412-2422 (2006)Classifying the World Anti-Doping Agency's 2005 Prohibited List Using the Chemistry Development Kit Fingerprint., and . CompLife, volume 4216 of Lecture Notes in Computer Science, page 173-182. Springer, (2006)Quantitative Comparison of Catalytic Mechanisms and Overall Reactions in Convergently Evolved Enzymes: Implications for Classification of Enzyme Function, , , and . PLoS Comput Biol, 6 (3): e1000700+ (Mar 12, 2010)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)Predicting targets of compounds against neurological diseases using cheminformatic methodology., , , , , , , , , and 1 other author(s). J. Comput. Aided Mol. Des., 29 (2): 183-198 (2015)SATIS: Atom Typing from Chemical Connectivity., , and . Journal of Chemical Information and Computer Sciences, 39 (4): 751-757 (1999)CMLSnap: Animated Reaction Mechanisms, , and . (2004)