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Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity., , , , , , , , , and 3 other author(s). Journal of Chemical Information and Modeling, 50 (10): 1872-1886 (2010)Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries., , and . Journal of Chemical Information and Computer Sciences, 40 (2): 263-272 (2000)Training Similarity Measures for Specific Activities: Application to Reduced Graphs., , , and . Journal of Chemical Information and Modeling, 46 (2): 577-586 (2006)BRADSHAW: a system for automated molecular design., , , , , , , , and . J. Comput. Aided Mol. Des., 34 (7): 747-765 (2020)Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models., , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 63 (4): 1099-1113 (February 2023)Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4., , , , and . J. Chem. Inf. Model., 62 (6): 1458-1470 (2022)Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)., , and . Journal of Chemical Information and Computer Sciences, 36 (6): 1214-1223 (1996)QSAR workbench: automating QSAR modeling to drive compound design., , , , and . J. Comput. Aided Mol. Des., 27 (4): 321-336 (2013)Optimizing the Size and Configuration of Combinatorial Libraries., , , and . J. Chem. Inf. Comput. Sci., 43 (2): 381-390 (2003)Correction to: BRADSHAW: a system for automated molecular design., , , , , , , , and . J. Comput. Aided Mol. Des., 34 (7): 767 (2020)