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Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository.

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Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities., , , and . Journal of Chemical Information and Modeling, 53 (10): 2613-2625 (2013)A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis., , , , and . J. Cheminformatics, 4 (S-1): 26 (2012)Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches., , , , , , , , and . Journal of Chemical Information and Modeling, 53 (6): 1475-1485 (2013)Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure., , , , and . Journal of Chemical Information and Modeling, 51 (9): 2427-2439 (2011)Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies., , , , and . Journal of Computer-Aided Molecular Design, 24 (3): 225-235 (2010)Activity-difference maps and consensus similarity measure characterize structure-activity relationships., , , , and . J. Cheminformatics, 4 (S-1): 24 (2012)Modeling of peptides containing D-amino acids: implications on cyclization., , , , , and . Journal of Computer-Aided Molecular Design, 23 (9): 677-689 (2009)Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs., , , , , , and . Journal of Chemical Information and Modeling, 49 (2): 477-491 (2009)Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository., , , , , and . Journal of Chemical Information and Modeling, 49 (4): 1010-1024 (2009)