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Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules.

, , and . Journal of Chemical Information and Computer Sciences, 39 (5): 881-886 (1999)

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Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme., , , and . Journal of Chemical Information and Computer Sciences, 43 (4): 1151-1157 (2003)Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients., , and . Journal of Chemical Information and Computer Sciences, 40 (1): 163-166 (2000)Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces., , and . Journal of Chemical Information and Modeling, 47 (1): 39-46 (2007)Chemical Descriptors with Distinct Levels of Information Content and Varying Sensitivity to Differences between Selected Compound Databases Identified by SE-DSE Analysis., and . Journal of Chemical Information and Computer Sciences, 42 (1): 87-93 (2002)Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds., , and . Journal of Chemical Information and Modeling, 45 (6): 1812-1819 (2005)Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis., , , and . Journal of Chemical Information and Computer Sciences, 39 (4): 699-704 (1999)Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys., , , and . Journal of Chemical Information and Computer Sciences, 43 (4): 1218-1225 (2003)Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations., , , and . Journal of Chemical Information and Modeling, 44 (4): 1275-1281 (2004)A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations., and . Journal of Chemical Information and Modeling, 46 (3): 1094-1097 (2006)Recursive Median Partitioning for Virtual Screening of Large Databases., , and . Journal of Chemical Information and Computer Sciences, 43 (1): 182-188 (2003)