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Ten simple rules to power drug discovery with data science., , , , , , , , , and 3 other author(s). PLoS Comput. Biol., (2020)A Knowledge-Based Weighting Approach to Ligand-Based Virtual Screening., and . Journal of Chemical Information and Modeling, 46 (2): 587-596 (2006)Evaluation of machine-learning methods for ligand-based virtual screening., , , , , , , and . Journal of Computer-Aided Molecular Design, 21 (1-3): 53-62 (2007)What's What: The (Nearly) Definitive Guide to Reaction Role Assignment., , and . Journal of Chemical Information and Modeling, 56 (12): 2336-2346 (2016)Evaluation of extended parameter sets for the 3D-QSAR technique MaP: Implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloids., , , and . Journal of Computer-Aided Molecular Design, 17 (5-6): 347-365 (2003)The integration of Open3DTOOLS into the RDKit and KNIME., , and . J. Cheminformatics, 6 (S-1): 8 (2014)Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma., , , , and . J. Cheminformatics, 3 (S-1): 3 (2011)Validation tools for variable subset regression., and . Journal of Computer-Aided Molecular Design, 18 (7): 549-562 (2004)ErG: 2D Pharmacophore Descriptions for Scaffold Hopping., , , and . Journal of Chemical Information and Modeling, 46 (1): 208-220 (2006)Structure-Based Validation of the 3D-QSAR Technique MaP., and . Journal of Chemical Information and Modeling, 45 (3): 739-749 (2005)