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JUMBO - An XML infrastructure for eScience

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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)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)Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms., , , , , , and . J. Chem. Inf. Model., 52 (3): 617-648 (2012)A multi-label approach to target prediction taking ligand promiscuity into account., , , , and . J. Cheminformatics, (2015)Variational autoencoders for tissue heterogeneity exploration from (almost) no preprocessed mass spectrometry imaging data., , , , and . CoRR, (2017)A semantic GRID for molecular science, , , , , , and . Proceedings of the 2003 UK e-Science All Hands Meeting, 31st August - 3rd September, page 802. Nottingham UK, (2003)FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes., , , , , , , and . Journal of Chemical Information and Modeling, 53 (11): 2896-2907 (2013)Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)., , , and . SMC (5), page 4553-4558. IEEE, (2004)Predicting drug metabolism: experiment and/or computation?, , , , , , , and . Nature Reviews Drug Discovery, 14 (6): 387--404 (Apr 24, 2015)JUMBO - An XML infrastructure for eScience, , , , , , , , and . Proceedings of the 2004 e-Science All Hands Meeting, 31st August - 3rd September, Nottingham UK, (2004)