Jürgen Bajorath

2006
31	EE	Jeffrey 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)
30	EE	Hanna Eckert, Ingo Vogt, Jürgen Bajorath: Mapping Algorithms for Molecular Similarity Analysis and Ligand-Based Virtual Screening: Design of DynaMAD and Comparison with MAD and DMC. Journal of Chemical Information and Modeling 46(4): 1623-1634 (2006)
2005
29	EE	Jeffrey 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
28	EE	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. Journal of Chemical Information and Modeling 44(1): 21-29 (2004)
27	EE	Ling 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)
26	EE	Ling Xue, Florence L. Stahura, Jürgen Bajorath: Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening. Journal of Chemical Information and Modeling 44(6): 2032-2039 (2004)
2003
25	EE	Jeffrey 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)
24	EE	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. Journal of Chemical Information and Computer Sciences 43(4): 1151-1157 (2003)
23	EE	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. Journal of Chemical Information and Computer Sciences 43(4): 1218-1225 (2003)
2002
22	EE	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. Journal of Chemical Information and Computer Sciences 42(1): 87-93 (2002)
21	EE	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. Journal of Chemical Information and Computer Sciences 42(3): 550-558 (2002)
20	EE	Ling Xue, Jürgen Bajorath: Accurate Partitioning of Compounds Belonging to Diverse Activity Classes. Journal of Chemical Information and Computer Sciences 42(3): 757-764 (2002)
19	EE	Jeffrey 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)
18	EE	Jeffrey 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)
17	EE	Jürgen Bajorath: Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries. Journal of Computer-Aided Molecular Design 16(5-6): 431-439 (2002)
2001
16	EE	Jürgen Bajorath: Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening. Journal of Chemical Information and Computer Sciences 41(2): 233-245 (2001)
15	EE	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. Journal of Chemical Information and Computer Sciences 41(2): 394-401 (2001)
14	EE	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. Journal of Chemical Information and Computer Sciences 41(3): 746-753 (2001)
13	EE	Jeffrey 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
12	EE	Jeffrey 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)
11	EE	Jeffrey 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)
10	EE	Ling Xue, Jürgen Bajorath: Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm. Journal of Chemical Information and Computer Sciences 40(3): 801-809 (2000)
9	EE	Ling 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)
8	EE	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. Journal of Chemical Information and Computer Sciences 40(5): 1245-1252 (2000)
1999
7	EE	Jürgen Bajorath, Teri E. Klein, Terry P. Lybrand, Jiri Novotny: Computer-Aided Drug Design - Session Introduction. Pacific Symposium on Biocomputing 1999: 413-414
6	EE	Hua Gao, Chris Williams, Paul Labute, Jürgen Bajorath: Binary Quantitative Structure-Activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands. Journal of Chemical Information and Computer Sciences 39(1): 164-168 (1999)
5	EE	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. Journal of Chemical Information and Computer Sciences 39(4): 699-704 (1999)
4	EE	Ling 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)
3	EE	Jeffrey 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)
2	EE	Jürgen Bajorath: Analysis of Fas-ligand interactions using a molecular model of the receptor-ligand interface. Journal of Computer-Aided Molecular Design 13(4): 409-418 (1999)
1997
1	EE	Jürgen Bajorath, Alejandro Aruffo: Prediction of the three-dimensional structure of the human Fas receptor by comparative molecular modeling. Journal of Computer-Aided Molecular Design 11(1): 3-8 (1997)

Coauthor Index

1	Alejandro Aruffo	[1]
2	Hanna Eckert	[30]
3	John R. Furr	[25] [28]
4	Hua Gao	[5] [6]
5	Jeffrey W. Godden	[3] [4] [5] [8] [9] [11] [12] [13] [14] [15] [18] [19] [21] [22] [23] [24] [25] [27] [28] [29] [31]
6	Douglas B. Kitchen	[19]
7	Teri E. Klein	[7]
8	Paul Labute	[6]
9	Terry P. Lybrand	[7]
10	Jiri Novotny	[7]
11	E. James Schermerhorn	[19]
12	Florence L. Stahura	[3] [8] [11] [14] [15] [19] [21] [23] [24] [26] [27] [28] [29]
13	Ingo Vogt	[30]
14	Chris Williams	[6]
15	Ling Xue	[4] [5] [8] [9] [10] [12] [14] [15] [18] [19] [20] [23] [24] [26] [27] [28]

Colors in the list of coauthors