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Applications of crystal structure prediction – organic molecular structures: general discussion, , , , , , , , , and 19 other author(s). Faraday Discussions, (2018)Predicting the protein targets for athletic performance-enhancing substances., and . J. Cheminformatics, (2013)Using Reaction Mechanism to Measure Enzyme Similarity, , , and . Journal of Molecular Biology, 368 (5): 1484--1499 (May 18, 2007)Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets., , and . J. Cheminformatics, 4 (S-1): 6 (2012)Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules., , , , and . J. Chem. Inf. Model., 54 (3): 844-856 (2014)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)Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport., , , and . J. Chem. Inf. Model., 46 (6): 2369-2380 (2006)Melting Point Prediction Employing k-Nearest Neighbor Algorithms and Genetic Parameter Optimization., , , , , and . J. Chem. Inf. Model., 46 (6): 2412-2422 (2006)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)Quantitative Comparison of Catalytic Mechanisms and Overall Reactions in Convergently Evolved Enzymes: Implications for Classification of Enzyme Function., , , and . PLoS Comput. Biol., (2010)