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Jürgen Bajorath: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Jürgen Bajorath, Teri E. Klein, Terry P. Lybrand, Jiri Novotny
    Computer-Aided Drug Design - Session Introduction. [Citation Graph (0, 0)][DBLP]
    Pacific Symposium on Biocomputing, 1999, pp:413-414 [Conf]
  2. Jürgen Bajorath
    Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2002, v:16, n:5-6, pp:431-439 [Journal]
  3. Jürgen Bajorath
    Analysis of Fas-ligand interactions using a molecular model of the receptor-ligand interface. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1999, v:13, n:4, pp:409-418 [Journal]
  4. Jürgen Bajorath, Alejandro Aruffo
    Prediction of the three-dimensional structure of the human Fas receptor by comparative molecular modeling. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1997, v:11, n:1, pp:3-8 [Journal]
  5. Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath
    Statistical analysis of computational docking of large compound data bases to distinct protein binding sites. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:15, pp:1634-1643 [Journal]
  6. Jürgen Bajorath
    Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:233-245 [Journal]
  7. Ling Xue, Jürgen Bajorath
    Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:3, pp:801-809 [Journal]
  8. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1623-1634 [Journal]
  9. Hua Gao, Chris Williams, Paul Labute, Jürgen Bajorath
    Binary Quantitative Structure-Activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:1, pp:164-168 [Journal]
  10. Jeffrey W. Godden, Jürgen Bajorath
    Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:4, pp:1060-1066 [Journal]
  11. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:1, pp:87-93 [Journal]
  12. Jeffrey W. Godden, Jürgen Bajorath
    A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:3, pp:1094-1097 [Journal]
  13. Jeffrey W. Godden, John R. Furr, Jürgen Bajorath
    Recursive Median Partitioning for Virtual Screening of Large Databases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:182-188 [Journal]
  14. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:21-29 [Journal]
  15. Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath
    Variability of Molecular Descriptors in Compound Databases Revealed by Shannon Entropy Calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:3, pp:796-800 [Journal]
  16. Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath
    Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1812-1819 [Journal]
  17. Jeffrey W. Godden, Ling Xue, Jürgen Bajorath
    Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:1, pp:163-166 [Journal]
  18. Jeffrey W. Godden, Ling Xue, Jürgen Bajorath
    Classification of Biologically Active Compounds by Median Partitioning. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:5, pp:1263-1269 [Journal]
  19. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:4, pp:885-893 [Journal]
  20. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:3, pp:550-558 [Journal]
  21. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:5, pp:1245-1252 [Journal]
  22. Ling Xue, Jürgen Bajorath
    Accurate Partitioning of Compounds Belonging to Diverse Activity Classes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:3, pp:757-764 [Journal]
  23. Ling Xue, Jeffrey W. Godden, Jürgen Bajorath
    Evaluation of Descriptors and Mini-Fingerprints for the Identification of Molecules with Similar Activity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:5, pp:1227-1234 [Journal]
  24. Ling Xue, Jeffrey W. Godden, Jürgen Bajorath
    Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:5, pp:881-886 [Journal]
  25. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:4, pp:699-704 [Journal]
  26. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:4, pp:1151-1157 [Journal]
  27. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:4, pp:1218-1225 [Journal]
  28. Ling Xue, Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath
    Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1275-1281 [Journal]
  29. Ling Xue, Florence L. Stahura, Jürgen Bajorath
    Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2032-2039 [Journal]
  30. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:394-401 [Journal]
  31. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:746-753 [Journal]

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