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Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach., , and . Journal of Chemical Information and Computer Sciences, 37 (3): 599-614 (1997)Collaborating to improve the use of free-energy and other quantitative methods in drug discovery., , , , , , , , , and 2 other author(s). J. Comput. Aided Mol. Des., 30 (12): 1139-1141 (2016)Best practices for repurposing studies.. J. Comput. Aided Mol. Des., 35 (12): 1189-1193 (2021)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)A Ring-Bracing Approach to Computer-Assisted Ligand Design., and . J. Comput. Chem., 15 (2): 233-240 (1994)Stable and Robust Solution of Trigonometric Equations.. Comput. Chem., 16 (1): 73-75 (1992)Three-Dimensional Quantitative Structure-Permeability Relationship Analysis for a Series of Inhibitors of Rhinovirus Replication., , , , , , and . Journal of Chemical Information and Computer Sciences, 41 (6): 1578-1586 (2001)Comparison of Conformational Analysis Techniques To Generate Pharmacophore Hypotheses Using Catalyst., , , and . Journal of Chemical Information and Modeling, 45 (2): 461-476 (2005)Planning Considerations for a Roving Robot with Arm., and . IJCAI, page 308-316. William Kaufmann, (1973)D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies., , , , , , , , , and 5 other author(s). J. Comput. Aided Mol. Des., 34 (2): 99-119 (2020)