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)

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)

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)

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)

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)

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)

Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening. - Ling Xue; 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)