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Designing novel nicotinic agonists by searching a database of molecular shapes., and . J. Comput. Aided Mol. Des., 1 (3): 243-256 (1987)The Centroid Approximation for Mixtures: Calculating Similarity and Deriving Structure-Activity Relationships.. Journal of Chemical Information and Computer Sciences, 40 (6): 1456-1469 (2000)Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds.. Journal of Chemical Information and Computer Sciences, 43 (3): 1037-1050 (2003)Time-Split Cross-Validation as a Method for Estimating the Goodness of Prospective Prediction.. Journal of Chemical Information and Modeling, 53 (4): 783-790 (2013)A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules., and . Journal of Chemical Information and Computer Sciences, 38 (5): 915-924 (1998)Comparison of Random Forest and Pipeline Pilot Naïve Bayes in Prospective QSAR Predictions., , , and . Journal of Chemical Information and Modeling, 52 (3): 792-803 (2012)The Most Common Chemical Replacements in Drug-Like Compounds.. Journal of Chemical Information and Computer Sciences, 42 (1): 103-108 (2002)Is Multitask Deep Learning Practical for Pharma?, , , , , , and . J. Chem. Inf. Model., 57 (8): 2068-2076 (August 2017)Correction to Extreme Gradient Boosting as a Method for Quantitative Structure-Activity Relationships., , , , and . J. Chem. Inf. Model., 60 (3): 1910 (2020)Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure-Activity Relationship Models?, , , , , , , , , and . J. Chem. Inf. Model., 60 (4): 1969-1982 (2020)