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Jeffrey W. Godden
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2000 – 2009
- 2007
- [j23]Martin Vogt, Jeffrey W. Godden, Jürgen Bajorath:
Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces. J. Chem. Inf. Model. 47(1): 39-46 (2007) - 2006
- [j22]Jeffrey W. Godden, Jürgen Bajorath:
A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations. J. Chem. Inf. Model. 46(3): 1094-1097 (2006) - [j21]José Batista
, Jeffrey W. Godden, Jürgen Bajorath:
Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations. J. Chem. Inf. Model. 46(5): 1937-1944 (2006) - 2005
- [j20]Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath:
Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds. J. Chem. Inf. Model. 45(6): 1812-1819 (2005) - 2004
- [j19]Jeffrey W. Godden, John R. Furr, Ling Xue, Florence L. Stahura, Jürgen Bajorath:
Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality. J. Chem. Inf. Model. 44(1): 21-29 (2004) - [j18]Ling Xue, Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath:
Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations. J. Chem. Inf. Model. 44(4): 1275-1281 (2004) - 2003
- [j17]Jeffrey W. Godden, John R. Furr, Jürgen Bajorath:
Recursive Median Partitioning for Virtual Screening of Large Databases. J. Chem. Inf. Comput. Sci. 43(1): 182-188 (2003) - [j16]Ling Xue, Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath:
Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme. J. Chem. Inf. Comput. Sci. 43(4): 1151-1157 (2003) - [j15]Ling Xue, Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath:
Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys. J. Chem. Inf. Comput. Sci. 43(4): 1218-1225 (2003) - 2002
- [j14]Jeffrey W. Godden, Jürgen Bajorath:
Chemical Descriptors with Distinct Levels of Information Content and Varying Sensitivity to Differences between Selected Compound Databases Identified by SE-DSE Analysis. J. Chem. Inf. Comput. Sci. 42(1): 87-93 (2002) - [j13]Florence L. Stahura, Jeffrey W. Godden, Jürgen Bajorath:
Differential Shannon Entropy Analysis Identifies Molecular Property Descriptors that Predict Aqueous Solubility of Synthetic Compounds with High Accuracy in Binary QSAR Calculations. J. Chem. Inf. Comput. Sci. 42(3): 550-558 (2002) - [j12]Jeffrey W. Godden, Ling Xue, Douglas B. Kitchen
Median Partitioning: A Novel Method for the Selection of Representative Subsets from Large Compound Pools. J. Chem. Inf. Comput. Sci. 42(4): 885-893 (2002) - [j11]Jeffrey W. Godden, Ling Xue, Jürgen Bajorath:
Classification of Biologically Active Compounds by Median Partitioning. J. Chem. Inf. Comput. Sci. 42(5): 1263-1269 (2002) - 2001
- [j10]Ling Xue, Florence L. Stahura, Jeffrey W. Godden, Jürgen Bajorath:
Mini-fingerprints Detect Similar Activity of Receptor Ligands Previously Recognized Only by Three-Dimensional Pharmacophore-Based Methods. J. Chem. Inf. Comput. Sci. 41(2): 394-401 (2001) - [j9]Ling Xue, Florence L. Stahura, Jeffrey W. Godden, Jürgen Bajorath:
Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations. J. Chem. Inf. Comput. Sci. 41(3): 746-753 (2001) - [j8]Jeffrey W. Godden, Jürgen Bajorath:
Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors. J. Chem. Inf. Comput. Sci. 41(4): 1060-1066 (2001) - 2000
- [j7]Jeffrey W. Godden, Ling Xue, Jürgen Bajorath:
Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients. J. Chem. Inf. Comput. Sci. 40(1): 163-166 (2000) - [j6]Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath:
Variability of Molecular Descriptors in Compound Databases Revealed by Shannon Entropy Calculations. J. Chem. Inf. Comput. Sci. 40(3): 796-800 (2000) - [j5]Ling Xue, Jeffrey W. Godden, Jürgen Bajorath:
Evaluation of Descriptors and Mini-Fingerprints for the Identification of Molecules with Similar Activity. J. Chem. Inf. Comput. Sci. 40(5): 1227-1234 (2000) - [j4]Florence L. Stahura, Jeffrey W. Godden, Ling Xue, Jürgen Bajorath:
Distinguishing between Natural Products and Synthetic Molecules by Descriptor Shannon Entropy Analysis and Binary QSAR Calculations. J. Chem. Inf. Comput. Sci. 40(5): 1245-1252 (2000)
1990 – 1999
- 1999
- [j3]Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath:
Statistical analysis of computational docking of large compound data bases to distinct protein binding sites. J. Comput. Chem. 20(15): 1634-1643 (1999) - [j2]Ling Xue, Jeffrey W. Godden, Hua Gao, Jürgen Bajorath:
Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis. J. Chem. Inf. Comput. Sci. 39(4): 699-704 (1999) - [j1]Ling Xue, Jeffrey W. Godden, Jürgen Bajorath:
Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules. J. Chem. Inf. Comput. Sci. 39(5): 881-886 (1999)
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