Statistical analysis of computational docking of large compound data bases to distinct protein binding sites. - Jeffrey W. Godden; Florence L. Stahura; Jürgen Bajorath (J. Comput. Chem., 1999)

Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules. - Ling Xue; Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 1999)

Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis. - Ling Xue; Jeffrey W. Godden; Hua Gao; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 1999)

Variability of Molecular Descriptors in Compound Databases Revealed by Shannon Entropy Calculations. - Jeffrey W. Godden; Florence L. Stahura; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2000)

Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients. - Jeffrey W. Godden; Ling Xue; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2000)

Distinguishing between Natural Products and Synthetic Molecules by Descriptor Shannon Entropy Analysis and Binary QSAR Calculations. - Florence L. Stahura; Jeffrey W. Godden; Ling Xue; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2000)

Evaluation of Descriptors and Mini-Fingerprints for the Identification of Molecules with Similar Activity. - Ling Xue; Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2000)

Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors. - Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2001)

Mini-fingerprints Detect Similar Activity of Receptor Ligands Previously Recognized Only by Three-Dimensional Pharmacophore-Based Methods. - Ling Xue; Florence L. Stahura; Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2001)

Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations. - Ling Xue; Florence L. Stahura; Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2001)

Chemical Descriptors with Distinct Levels of Information Content and Varying Sensitivity to Differences between Selected Compound Databases Identified by SE-DSE Analysis. - Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2002)

Classification of Biologically Active Compounds by Median Partitioning. - Jeffrey W. Godden; Ling Xue; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2002)

Median Partitioning: A Novel Method for the Selection of Representative Subsets from Large Compound Pools. - Jeffrey W. Godden; Ling Xue; Douglas B. Kitchen; Florence L. Stahura; E. James Schermerhorn; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2002)

Differential Shannon Entropy Analysis Identifies Molecular Property Descriptors that Predict Aqueous Solubility of Synthetic Compounds with High Accuracy in Binary QSAR Calculations. - Florence L. Stahura; Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2002)

Recursive Median Partitioning for Virtual Screening of Large Databases. - Jeffrey W. Godden; John R. Furr; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2003)

Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme. - Ling Xue; Jeffrey W. Godden; Florence L. Stahura; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2003)

Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys. - Ling Xue; Jeffrey W. Godden; Florence L. Stahura; Jürgen Bajorath (J. Chem. Inf. Comput. Sci., 2003)

Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality. - Jeffrey W. Godden; John R. Furr; Ling Xue; Florence L. Stahura; Jürgen Bajorath (J. Chem. Inf. Model., 2004)

Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations. - Ling Xue; Jeffrey W. Godden; Florence L. Stahura; Jürgen Bajorath (J. Chem. Inf. Model., 2004)

Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds. - Jeffrey W. Godden; Florence L. Stahura; Jürgen Bajorath (J. Chem. Inf. Model., 2005)

Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations. - José Batista; Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Model., 2006)

A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations. - Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Model., 2006)

Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces. - Martin Vogt 001; Jeffrey W. Godden; Jürgen Bajorath (J. Chem. Inf. Model., 2007)