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Johann Gasteiger: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. J. Royce Rose, Johann Gasteiger
    Hierarchical Classification as an Aid to Database and Hit-List Browsing. [Citation Graph (0, 0)][DBLP]
    CIKM, 1994, pp:408-414 [Conf]
  2. Johann Gasteiger, Dietrich Trümbach
    Biochemical Pathways As a Reaction Database. [Citation Graph (0, 0)][DBLP]
    German Conference on Bioinformatics, 2000, pp:121-122 [Conf]
  3. C. H. Schwab, Sandra Handschuh, Andreas Teckentrup, Markus Wagener, Jens Sadowski, Johann Gasteiger, Paul Levi, T. Will, Andreas Zell, H. Siemens, Gerhard Klebe, Thomas Mietzner, Frank Weber, Gerhard Barnickel, Scheila Anzali, Michael Krug
    A Systemsatic Approach to Finding New Lead Structures Having Biological Activity. [Citation Graph (0, 0)][DBLP]
    German Conference on Bioinformatics - Selected Papers, 1996, pp:166-177 [Conf]
  4. Johann Gasteiger
    An algorithm for estimating heats of reaction. [Citation Graph (0, 0)][DBLP]
    Computers & Chemistry, 1978, v:2, n:2, pp:85-88 [Journal]
  5. Soheila Anzali, Gerhard Barnickel, Michael Krug, Jens Sadowski, Markus Wagener, Johann Gasteiger, Jaroslaw Polanski
    The comparison of geometric and electronic properties of molecular surfaces by neural networks: Application to the analysis of corticosteroid-binding globulin activity of steroids. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1996, v:10, n:6, pp:521-534 [Journal]
  6. Sandra Handschuh, Bernd Goldfuss, Jiangang Chen, Johann Gasteiger, K. N. Houk
    Steroid binding by antibodies and artificial receptors: Exploration of theoretical methods to determine the origins of binding affinities and specificities. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2000, v:14, n:7, pp:611-629 [Journal]
  7. Aixia Yan, Johann Gasteiger, Michael Krug, Soheila Anzali
    Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2004, v:18, n:2, pp:75-87 [Journal]
  8. Wolf-Dietrich Ihlenfeldt, Johann Gasteiger
    Hash Codes for the Indentification and Classification of Molecular Structure Elements. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:8, pp:793-813 [Journal]
  9. João Aires-de-Sousa, Johann Gasteiger
    New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:369-375 [Journal]
  10. João Aires-de-Sousa, Johann Gasteiger, Ivan Gutman, Dusica Vidovic
    Chirality Codes and Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:3, pp:831-836 [Journal]
  11. Susanne Bauerschmidt, Johann Gasteiger
    Overcoming the Limitations of a Connection Table Description: A Universal Representation of Chemical Species. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1997, v:37, n:4, pp:705-714 [Journal]
  12. Henri Bauknecht, Andreas Zell, Harald Bayer, Paul Levi, Markus Wagener, Jens Sadowski, Johann Gasteiger
    Locating Biologically Active Compounds in Medium-Sized Heterogeneous Datasets by Topological Autocorrelation Vectors: Dopamine and Benzodiazepine Agonists. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1996, v:36, n:6, pp:1205-1213 [Journal]
  13. Nathan Brown, Ben McKay, François Gilardoni, Johann Gasteiger
    A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:3, pp:1079-1087 [Journal]
  14. Johann Gasteiger
    A Representation of p Systems for Efficient Computer Manipulation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1979, v:19, n:2, pp:111-115 [Journal]
  15. Johann Gasteiger, Wolfgang Hanebeck, Klaus-Peter Schulz
    Prediction of mass spectra from structural information. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1992, v:32, n:4, pp:264-271 [Journal]
  16. Johann Gasteiger, Wolf-Dietrich Ihlenfeldt, Ralf Fick, J. Royce Rose
    Similarity concepts for the planning of organic reactions and syntheses. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1992, v:32, n:6, pp:700-712 [Journal]
  17. Johann Gasteiger, Clemens Jochum
    An Algorithm for the Perception of Synthetically Important Rings. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1979, v:19, n:1, pp:43-48 [Journal]
  18. Johann Gasteiger, Mario Marsili, M. G. Hutchings, Heinz Saller, P. Loew, P. Roese, K. Rafeiner
    Models for the representation of knowledge about chemical reactions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1990, v:30, n:4, pp:467-476 [Journal]
  19. Johann Gasteiger, Klaus-Peter Schulz, C. Kredler
    Analysis of the reactivity of single bonds in aliphatic molecules by statistical and pattern recognition methods. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1993, v:33, n:3, pp:385-394 [Journal]
  20. Johann Gasteiger, Jens Sadowski, Jan H. Schuur, Paul Selzer, Larissa Steinhauer, Valentin Steinhauer
    Chemical Information in 3D Space. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1996, v:36, n:5, pp:1030-1037 [Journal]
  21. Sandra Handschuh, Markus Wagener, Johann Gasteiger
    Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:220-232 [Journal]
  22. Robert Höllering, Johann Gasteiger, Larissa Steinhauer, Klaus-Peter Schulz, Achim Herwig
    Simulation of Organic Reactions: From the Degradation of Chemicals to Combinatorial Synthesis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:2, pp:482-494 [Journal]
  23. Wolf-Dietrich Ihlenfeldt, Johann Gasteiger
    Augmenting Connectivity Information by Compound Name Parsing: Automatic Assignment of Stereochemistry and Isotope Labeling. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1995, v:35, n:4, pp:663-674 [Journal]
  24. Clemens Jochum, Johann Gasteiger
    Canonical Numbering and Constitutional Symmetry. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1977, v:17, n:2, pp:113-117 [Journal]
  25. Clemens Jochum, Johann Gasteiger
    On the Misinterpretation of Our Algorithm for the Perception of Constitutional Symmetry. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1979, v:19, n:1, pp:49-50 [Journal]
  26. Frank Oellien, Wolf-Dietrich Ihlenfeldt, Johann Gasteiger
    InfVis - Platform-Independent Visual Data Mining of Multidimensional Chemical Data Sets. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1456-1467 [Journal]
  27. Axel Parlow, Christian Weiske, Johann Gasteiger
    ChemInform - an integrated information system on chemical reactions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1990, v:30, n:4, pp:400-402 [Journal]
  28. Rosalia Pascual, Marta Mateu, Johann Gasteiger, José I. Borrell, Jordi Teixidó
    Design and Analysis of a Combinatorial Library of HEPT Analogues: Comparison of Selection Methodologies and Inspection of the Actually Covered Chemical Space. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:199-207 [Journal]
  29. J. Royce Rose, Johann Gasteiger
    HORACE: An automatic system for the hierarchical classification of chemical reactions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:1, pp:74-90 [Journal]
  30. Jens Sadowski, Johann Gasteiger, Gerhard Klebe
    Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1994, v:34, n:4, pp:1000-1008 [Journal]
  31. Hiroko Satoh, Oliver Sacher, Tadashi Nakata, Lingran Chen, Johann Gasteiger, Kimito Funatsu
    Classification of Organic Reactions: Similarity of Reactions Based on Changes in the Electronic Features of Oxygen Atoms at the Reaction Sites1. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:210-219 [Journal]
  32. Klaus-Peter Schulz, Johann Gasteiger
    Elucidation of chemical reactivity using an associative memory system. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1993, v:33, n:3, pp:395-406 [Journal]
  33. Jan H. Schuur, Paul Selzer, Johann Gasteiger
    The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1996, v:36, n:2, pp:334-344 [Journal]
  34. Simon Spycher, Eric Pellegrini, Johann Gasteiger
    Use of Structure Descriptors To Discriminate between Modes of Toxic Action of Phenols. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:1, pp:200-208 [Journal]
  35. Andreas Teckentrup, Hans Briem, Johann Gasteiger
    Mining High-Throughput Screening Data of Combinatorial Libraries: Development of a Filter to Distinguish Hits from Nonhits. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:626-634 [Journal]
  36. Kristina Voigt, Johann Gasteiger, Rainer Brüggemann
    Comparative Evaluation of Chemical and Environmental Online and CD-ROM Databases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:1, pp:44-49 [Journal]
  37. Aixia Yan, Johann Gasteiger
    Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:429-434 [Journal]

  38. An environmental perspective on large-scale genome clustering based on metabolic capabilities. [Citation Graph (, )][DBLP]


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