Reaction Databases
  1. ChemInform - An Integrated Information System on Chemical Reactions
    J. Gasteiger, C. Weiske
    Proceed. 13th Internat. Online Inform. Meet.; Learned Information, Oxford, 1989, pp. 147-154
  2. ChemInform - An Integrated Information System on Chemical Reactions
    A. Parlow, C. Weiske, J. Gasteiger
    J. Chem. Inf. Comput. Sci., 30, 400-402 (1990)
  3. ChemInform - An Integrated Production Process for the Building of a Reaction Database and the Publishing of a Printed Abstracts Service
    J. Bohlen, A. Parlow, C. Weiske, J. Gasteiger
    in: Software Development in Chemistry 5
    J. Gmehling (Editor), Springer-Verlag, Heidelberg, 1991, pp. 37-43
  4. ChemInform - Vom gedruckten Referatedienst zur Reaktionendatenbank
    J. Gasteiger, C. Weiske
    Nachr. Chem. Tech. Lab., 40, 1114-1120 (1992)
  5. HORACE: An Automatic System for the Hierarchical Classification of Chemical Reactions
    J. R. Rose, J. Gasteiger
    J. Chem. Inf. Comput. Sci., 34, 74-90 (1994)
  6. Automatische Klassifizierung von Reaktionen: Wissen aus Reaktionendatenbanken
    J. Gasteiger, J. R. Rose
    in: Software Development in Chemistry 8,
    C. Jochum (Editor), GDCh, Frankfurt/Main, 1994, pp. 29-55
  7. Hierarchical Classification as an Aid to Database and Hit-List-Browsing
    J. R. Rose, J. Gasteiger
    in: Proceed. Third Internat. Conf. Inform. Knowl. Managem.
    ACM Press, Gaithersburg, MD, 1994
  8. Learning from Reaction Databases
    J. Gasteiger, P. Rse, U. Hondelmann, W. Witzenbichler, J. R. Rose
    in: AIP-Conference Proceedings 330: E.C.C.C.1, Computational Chemistry
    F. Bernardi, J. L. Rivail (Editors), American Institute of Physics, Woodbury, NY, 1995, pp. 667-685
  9. Automatic Extraction of Chemical Knowledge from Organic Reaction Data: Addition of Carbon Hydrogen Bonds to Carbon-Carbon Double Bonds
    L. Chen, J. Gasteiger, J. R. Rose
    J. Org. Chem., 60, 8002-8014 (1995)
  10. Extraction of Chemical Knowledge from Organic Reaction Data by Automatic Hierarchical Classification and Generalization
    L. Chen, J. Gasteiger, J. R. Rose
    in: Software Development in Chemistry 9
    R. Moll (Editor), GDCh, Frankfurt/Main, 1994, pp. 169-182
  11. Organische Reaktionen mit Hilfe neuronaler Netze klassifiziert: Michael-Additionen, Friedel-Crafts-Alkylierungen durch Alkene und verwandte Reaktionen
    L. Chen, J. Gasteiger
    Angew. Chem., 108, 844-846 (1996) Organic Reactions Classified by Neural Networks: Michael Additions, Friedel- Crafts Alkylations by Alkenes, and Related Reactions
    L. Chen, J. Gasteiger
    Angew. Chem. Int. Ed. Engl., 35, 763-765 (1996)
  12. Knowledge Discovery in Reaction Databases: Landscaping Organic Reactions by a Self-Organizing Neural Network
    L. Chen, J. Gasteiger
    J. Am. Chem. Soc., 119, 4033-4042 (1997)
  13. Database Mining: From Information to Knowledge
    J. Gasteiger
    Proceed. 1997 Chem. Inf. Conf., H. Collier (Editor), Infonortics Ltd. Calne, UK, 1997, pp.1-6
  14. Classification of Organic Reactions: Similarity of Reactions Based on Changes in the Electronic Features of Oxygen Atoms at the Reaction Sites
    H. Satoh, O. Sacher, T. Nakata, L. Chen, J. Gasteiger, K. Funatsu
    J. Chem. Inf. Comput. Sci., 38, 210-219 (1998)
  15. Biochemical Pathways as a Reaction Database
    J. Gasteiger, D. Trmbach
    Proceed. German Conference on Bioinformatics,
    E. Bornberg-Bauer, U. Rost, J. Stoye, M. Vingron (Eds.), Logos Verlag, Berlin, 2000, 121
  16. Enabling the exploration of biochemical pathways
    M. Reitz, O. Sacher, A. Tarkhov, D. Trümbach, J. Gasteiger
    Org. Biomol. Chem., 2, 3226-3237 (2004)
  17. Query Generation to Search for Inhibitors of Enzymatic Reactions
    M. Reitz, A. v. Homeyer, J. Gasteiger
    J. Chem. Inf. Model., 46, 2333-2341 (2006)
  18. Analyzing Biochemical Pathways Using Neural Networks and Genetic Algorithms
    J. Gasteiger, M. Reitz, Y. Han, O. Sacher
    Aust. J. Chem., 59, 854-858 (2006)
  19. Multidimensional Exploration into Biochemical Pathways
    J. Gasteiger, M. Reitz, O. Sacher
    in: The Chemical Theatre of Biological Systems
    M. G. Hicks, C. Kettner (Editors), Beilstein-Institut, Frankfurt/Main, 2005, pp.167-183, http://www.beilstein-institut.de