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Is Multitask Deep Learning Practical for Pharma?, , , , , , and . J. Chem. Inf. Model., 57 (8): 2068-2076 (August 2017)Light Gradient Boosting Machine as a Regression Method for Quantitative Structure-Activity Relationships., , and . CoRR, (2021)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)Three Useful Dimensions for Domain Applicability in QSAR Models Using Random Forest.. J. Chem. Inf. Model., 52 (3): 814-823 (2012)The Most Common Chemical Replacements in Drug-Like Compounds.. Journal of Chemical Information and Computer Sciences, 42 (1): 103-108 (2002)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)PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases, and . Journal of Chemical Information and Computer Sciences, 33 (5): 756-762 (1993)QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets., , , , and . Journal of Chemical Information and Modeling, 49 (8): 1974-1985 (2009)