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Jeffrey W. Godden

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2006
21EEJeffrey W. Godden, Jürgen Bajorath: A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations. Journal of Chemical Information and Modeling 46(3): 1094-1097 (2006)
2005
20EEJeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath: Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds. Journal of Chemical Information and Modeling 45(6): 1812-1819 (2005)
2004
19EEJeffrey 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. Journal of Chemical Information and Modeling 44(1): 21-29 (2004)
18EELing Xue, Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath: Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations. Journal of Chemical Information and Modeling 44(4): 1275-1281 (2004)
2003
17EEJeffrey W. Godden, John R. Furr, Jürgen Bajorath: Recursive Median Partitioning for Virtual Screening of Large Databases. Journal of Chemical Information and Computer Sciences 43(1): 182-188 (2003)
16EELing 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. Journal of Chemical Information and Computer Sciences 43(4): 1151-1157 (2003)
15EELing 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. Journal of Chemical Information and Computer Sciences 43(4): 1218-1225 (2003)
2002
14EEJeffrey 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. Journal of Chemical Information and Computer Sciences 42(1): 87-93 (2002)
13EEFlorence 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. Journal of Chemical Information and Computer Sciences 42(3): 550-558 (2002)
12EEJeffrey W. Godden, Ling Xue, Douglas B. Kitchen, Florence L. Stahura, E. James Schermerhorn, Jürgen Bajorath: Median Partitioning: A Novel Method for the Selection of Representative Subsets from Large Compound Pools. Journal of Chemical Information and Computer Sciences 42(4): 885-893 (2002)
11EEJeffrey W. Godden, Ling Xue, Jürgen Bajorath: Classification of Biologically Active Compounds by Median Partitioning. Journal of Chemical Information and Computer Sciences 42(5): 1263-1269 (2002)
2001
10EELing 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. Journal of Chemical Information and Computer Sciences 41(2): 394-401 (2001)
9EELing Xue, Florence L. Stahura, Jeffrey W. Godden, Jürgen Bajorath: Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations. Journal of Chemical Information and Computer Sciences 41(3): 746-753 (2001)
8EEJeffrey W. Godden, Jürgen Bajorath: Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors. Journal of Chemical Information and Computer Sciences 41(4): 1060-1066 (2001)
2000
7EEJeffrey W. Godden, Ling Xue, Jürgen Bajorath: Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients. Journal of Chemical Information and Computer Sciences 40(1): 163-166 (2000)
6EEJeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath: Variability of Molecular Descriptors in Compound Databases Revealed by Shannon Entropy Calculations. Journal of Chemical Information and Computer Sciences 40(3): 796-800 (2000)
5EELing Xue, Jeffrey W. Godden, Jürgen Bajorath: Evaluation of Descriptors and Mini-Fingerprints for the Identification of Molecules with Similar Activity. Journal of Chemical Information and Computer Sciences 40(5): 1227-1234 (2000)
4EEFlorence 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. Journal of Chemical Information and Computer Sciences 40(5): 1245-1252 (2000)
1999
3EELing Xue, Jeffrey W. Godden, Hua Gao, Jürgen Bajorath: Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis. Journal of Chemical Information and Computer Sciences 39(4): 699-704 (1999)
2EELing Xue, Jeffrey W. Godden, Jürgen Bajorath: Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules. Journal of Chemical Information and Computer Sciences 39(5): 881-886 (1999)
1EEJeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath: Statistical analysis of computational docking of large compound data bases to distinct protein binding sites. Journal of Computational Chemistry 20(15): 1634-1643 (1999)

Coauthor Index

1Jürgen Bajorath [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21]
2John R. Furr [17] [19]
3Hua Gao [3]
4Douglas B. Kitchen [12]
5E. James Schermerhorn [12]
6Florence L. Stahura [1] [4] [6] [9] [10] [12] [13] [15] [16] [18] [19] [20]
7Ling Xue [2] [3] [4] [5] [7] [9] [10] [11] [12] [15] [16] [18] [19]

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