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Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals., , , , , , and . Journal of Chemical Information and Modeling, 57 (5): 1013-1017 (2017)Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets., , , , , and . Journal of Chemical Information and Modeling, 51 (9): 2027-2035 (2011)Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCA Algorithms., , , , , , and . Journal of Chemical Information and Computer Sciences, 41 (6): 1470-1477 (2001)Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining., , , and . Journal of Chemical Information and Computer Sciences, 39 (4): 738-746 (1999)Rational selection of training and test sets for the development of validated QSAR models., , , , , and . J. Comput. Aided Mol. Des., 17 (2-4): 241-253 (2003)Quantitative Structure-Price Relationship (QS$R) Modeling and the Development of Economically Feasible Drug Discovery Projects., , , , , , , and . J. Chem. Inf. Model., 59 (4): 1306-1313 (2019)Use of the Open ROBOKOP Knowledge Graph-Based Application to Provide Mechanistic Explanations for Observed Associations between Environmental Exposures and Immune-Mediated Diseases., , , , , , , , , and . AMIA, AMIA, (2020)Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries., , and . Journal of Chemical Information and Computer Sciences, 38 (2): 251-258 (1998)Novel Inhibitors of Human Histone Deacetylase (HDAC) Identified by QSAR Modeling of Known Inhibitors, Virtual Screening, and Experimental Validation., , , , , , , and . Journal of Chemical Information and Modeling, 49 (2): 461-476 (2009)Accurate Classification of Protein Structural Families Using Coherent Subgraph Analysis., , , , , and . Pacific Symposium on Biocomputing, page 411-422. World Scientific, (2004)