Contributions in Books
  1. CICLOPS - A Computer Program for the Design of Synthesis on the Basis of a Mathematical Model
    J. Blair, J. Gasteiger, C. Gillespie, P. D. Gillespie, I. Ugi
    in: Computer Representation and Manipulation of Chemical Information
    W. T. Wipke, S. Heller, R. Feldmann, E. Hyde (Editors), J. Wiley, New York, NY, 1974, pp. 129-145
  2. Computers as an Aid in Organic Synthesis Design
    J. Brandt, J. Friedrich, J. Gasteiger, C. Jochum, W. Schubert, I. Ugi

    in: Computers in Chemical Education and Research
    E. V. Ludena, N. H. Sabelli, A. C. Wahl (Editors), Plenum Publ., New York, NY, 1977, pp. 337-356
  3. Computer Programs for the Deductive Solution of Chemical Problems
    J. Brandt, J. Friedrich, J. Gasteiger, C. Jochum, W. Schubert, I. Ugi
    in: Computer-Assisted Organic Synthesis
    W. T. Wipke, W. J. Howe (Editors), ACS-Symposium Series, 61, 1977, pp. 33-59
  4. Sweet and Bitter Compounds: Structure and Taste Relationship
    H. D. Belitz, W. Chen, H. Jugel, R. Treleano, H. Wieser, J. Gasteiger, M. Marsili
    in: Food Taste Chemistry
    J. C. Boudreau (Editor), ACS-Symposium Series, 115, 1979, pp. 93-131
  5. Computer Programs for the Deductive Solution of Chemical Problems on the Basis of Mathematical Model - A Systematic Bilateral Approach to Reaction Pathways
    I. Ugi, J. Bauer, J. Brandt, J. Friedrich, J. Gasteiger, C. Jochum, W. Schubert, J. Dugundji
    in: Computational Methods in Chemistry
    J. Bargon (Editor), The IBM Research Symposium Series, Plenum Publ., New York, NY, 1980
  6. Fast Calculation of Atomic Charges from Molecular Topology and Orbital Electronegativity
    M. Marsili, J. Gasteiger
    in: Data Processing in Chemistry
    Z. Hippe (Editor), Elsevier, Amsterdam, NL, 1981, pp. 56-67
  7. Investigations into Chemical Reactivity and Planning of Chemical Syntheses
    J. Gasteiger, M. Marsili, B. Paulus
    in: Data Processing in Chemistry
    Z. Hippe (Editor), Elsevier, Amsterdam, NL, 1981, pp. 229-246
  8. Syntheseplanung
    J. Gasteiger
    in: Computer in der Chemie
    E. Ziegler (Editor), Springer Verlag, Heidelberg, 1984, pp. 207-257
  9. Rapid Calculation of Electronic Effects in Organic Molecules
    J. Gasteiger, M. G. Hutchings, M. Marsili, H. Saller
    in: QSAR and Strategies in the Design of Bioactive Compounds
    J. K. Seydel (Editor), VCH-Verlagsgesellschaft, Weinheim, 1985, pp. 90-97
  10. The Acquisition and Representation of Knowledge for Expert Systems in Organic Chemistry
    J. Gasteiger, M. G. Hutchings, P. Löw, H. Saller
    in: Artificial Intelligence Applications in Chemistry
    T. H. Pierce, B. A. Hohne (Editors), ACS-Symposium Series, 306, 1986, pp. 258-276
  11. Eine Verarbeitung der R,S- und E,Z- Nomenklatur zur Spezifikation der Stereochemie
    L. Gann, J. Gasteiger
    in: Software Development in Chemistry 1
    J. Gasteiger (Editor), Springer-Verlag, Berlin, Heidelberg, 1987, pp. 17-33
  12. Ein automatisierter Molekülbaukasten
    Ch. Hiller, J. Gasteiger
    in: Software Development in Chemistry 1
    J. Gasteiger (Editor), Springer-Verlag, Berlin, Heidelberg, 1987, pp. 53-66
  13. Prediction of Chemical Reactivity and Design of Organic Synthesis
    J. Gasteiger, M. G. Hutchings, H. Saller, P. Löw
    in: Chemical Structures
    W. A. Warr (Editor), Springer-Verlag, Berlin, 1988, pp. 343-359
  14. Der Einsatz von Hashcodes zur Erkennung der strukturellen Ähnlichkeit von Molekülen
    W.-D. Ihlenfeldt, J. Gasteiger
    in: Software Development in Chemistry 2
    J. Gasteiger (Editor), Springer-Verlag, Heidelberg, 1988, pp. 13-33
  15. Der Einsatz eines Verteilten Assoziativen Speichers zur Reaktivittsvorhersage
    K.-P. Schulz, P. Hofmann, J. Gasteiger
    in: Software Development in Chemistry 2
    J. Gasteiger (Editor), Springer-Verlag, Heidelberg, 1988, pp. 181-196
  16. Die Vorhersage von Massenspektren basierend auf der Berechnung physikochemischer Parameter
    W. Hanebeck, H. Saller, J. Gasteiger
    in: Software Development in Chemistry 2
    J. Gasteiger (Editor), Springer-Verlag, Heidelberg, 1988, pp. 197-209
  17. Empirical Methods for the Calculation of Physicochemical Data of Organic Compounds
    J. Gasteiger
    in: Physical Property Prediction in Organic Chemistry
    C. Jochum, M. G. Hicks, J. Sunkel (Editors), Springer-Verlag, Heidelberg, 1988, pp. 119-138
  18. Reaktivittsvorhersage bei Gasphaseneliminierungen
    W. Witzenbichler, J. Gasteiger
    in: Software Development in Chemistry 3
    G. Gauglitz (Editor), Springer Verlag, Heidelberg, 1989, pp. 293-304
  19. The WODCA System
    J. Gasteiger, W.-D. Ihlenfeldt
    in: Software-Development in Chemistry 4
    J. Gasteiger (Editor), Springer-Verlag, Heidelberg, 1990, pp. 57-65
  20. Implementation of Synthesis Strategies in PROLOG
    M. Wagener, J. Gasteiger
    in: Software-Development in Chemistry 4
    J. Gasteiger (Editor), Springer-Verlag, Heidelberg, 1990, pp. 265-273
  21. EROS 6.0, a Knowledge Based System for Reaction Prediction - Application to the Regioselectivity of the Diels-Alder Reaction
    P. Röse, J. Gasteiger
    in: Software-Development in Chemistry 4
    J. Gasteiger (Editor), Springer-Verlag, Heidelberg, 1990, pp. 275-288
  22. Towards the Automatic Generation of a Mass Spectrum from the Structure of a Compound
    W. Hanebeck, K. Rafeiner, K.-P. Schulz, P. Röse, J. Gasteiger
    in: Software-Development in Chemistry 4
    J. Gasteiger (Editor), Springer-Verlag, Heidelberg, 1990, pp. 187-195
  23. Synthesis Planning Based upon the Similarity of Chemical Structures
    W.-D. Ihlenfeldt, J. Gasteiger
    in: Software Development in Chemistry 5
    J. Gmehling (Editor), Springer-Verlag, Heidelberg, 1991, pp. 59-67
  24. Calculation of Heats of Formation for Organic Radicals and Cations
    K. Rafeiner, J. Gasteiger
    in: Software Development in Chemistry 5
    J. Gmehling (Editor), Springer-Verlag, Heidelberg, 1991, pp. 69-75
  25. 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
  26. Similarity Criteria for Chemical Structures and Reactions
    J. Gasteiger, W.-D. Ihlenfeldt
    in: Chemical Structures 2
    W. A. Warr (Editor), Springer-Verlag, Berlin, 1993, pp. 423-438
  27. Automatic Analysis and Simulation of Mass-Spectra
    J. Gasteiger, W. Hanebeck, K.-P. Schulz, S. Bauerschmidt, R. Höllering

    in: Computer-Enhanced Analytical Spectroscopy, Vol. 4
    C. L. Wilkins (Editor), Plenum Press, New York, NY, 1993, pp.97-133
  28. The Mapping of Molecular Electrostatic Potentials by Kohonen-Networks: Investigations of Neurotransmitters and their Agonists
    J. Gasteiger, X. Li
    in: Software-Development in Chemistry 7
    D. Ziessow (Editor), GDCh, Frankfurt/Main, 1993, pp. 1-14
  29. Polygon Patterns for the Generation of Conformations of Large Rings
    J. Sadowski, J. Gasteiger
    in: Software-Development in Chemistry 7
    D. Ziessow (Editor), GDCh, Frankfurt/Main, 1993, pp. 65-76
  30. Genetic Algorithms for the Perception of Molecular Symmetry Applied to Synthesis Planning
    M. Wagener, J. Gasteiger
    in: Software-Development in Chemistry 7
    D. Ziessow (Editor), GDCh, Frankfurt/Main, 1993, pp. 153-167
  31. 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
  32. Bestimmung größter gemeinsamer dreidimensionaler Substrukturen mit Hilfe eines genetischen Algorithmus
    M. Wagener, J. Gasteiger
    in: Software Development in Chemistry 8
    C. Jochum (Editor), GDCh, Frankfurt/Main, 1994, pp. 169-182
  33. 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
  34. Synthesis Planning in the 90s: The WODCA System
    R. Fick, J. Gasteiger, W.-D. Ihlenfeldt
    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. 526-531
  35. Determination of Maximum Common 3D Substructures Using a Genetic Algorithm
    M. Wagener, J. Gasteiger
    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. 532-537
  36. Learning from Reaction Databases
    J. Gasteiger, P. Röse, 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
  37. Automatic Elucidation of Reactions in the Mass Spectrometer
    K.-P. Schulz, S. Bauerschmidt, R. Höllering, J. Gasteiger
    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. 726-733
  38. 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
  39. The Elimination of Candidate Structures in Computer-Assisted Structure Elucidation Using the Mass Spectrum
    K. P. Schulz, J. Gasteiger
    in Software Development in Chemistry 9,
    R. Moll (Editor), GDCh, Frankfurt/Main, 1995, pp. 319-326
  40. Ähnlichkeitsanalyse biologisch aktiver Moleküle mit durch Autokorrelationsvektoren trainierten selbstorganisierenden Karten
    H. Bauknecht, A. Zell, H. Bayer, P. Levi, M. Wagener, J. Sadowski, J. Gasteiger
    in: Bioinformatics: From Nucleic Acids and Proteins to Cell Metabolism
    D. Schomburg, U. Lessel (Editors), GBF Monographs Vol. 18, Braunschweig, 1995, pp.153-167
  41. Ähnlichkeitsanalyse biologisch aktiver Verbindungen unter Einsatz genetischer Algorithmen und neuronaler Netze
    J. Gasteiger, J. Sadowski, M. Wagener, P. Levi, A. Zell, H. Bauknecht, T.Will, G. Klebe, T. Mietzner, F. Weber, G. Barnickel, S. Anzali, M. Krug
    in: BMBF Statusseminar Bioinformatik
    G. Wolf, R. Schmidt, M. van der Meer (Editors), Projektträger DLR, Berlin, 1995, pp. 79-103
  42. CORINA: Automatic Generation of High-Quality 3D-Molecular Models for Application in QSAR
    J. Sadowski, M. Wagener, J. Gasteiger
    in: QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications
    F. Sanz, J. Giraldo, F. Manaut (Editors), Prous Science Publishers, 1995, pp. 646-651
  43. Beyond the Hyperactive Molecule: Search, Salvage and Visualisation of Chemical Information from the Internet
    W.-D. Ihlenfeldt, J. Gasteiger
    in: Pacific Symposium on Biocomputing 96
    L. Hunter, T. E. Klein (Editors), World Scientific, Singapore, 1996, pp. 384-395
  44. Simulation of IR Spectra with Neural Networks Using the 3D-MoRSE Code
    P. Selzer, J. Schuur, J. Gasteiger
    in: Software Development in Chemistry 10
    J. Gasteiger (Editor), GDCh, Frankfurt/Main, 1996, pp. 293-303
  45. 3D-MoRSE Code - A Method for Coding the 3D Structure of Molecules
    J. Schuur, J. Gasteiger
    in: Software Development in Chemistry 10
    J. Gasteiger (Editor), GDCh, Frankfurt/Main, 1996, pp. 67-80
  46. Obtaining the 3D Structure from Infrared Spectra of Organic Compounds Using Neural Networks
    L. Steinhauer, V. Steinhauer, J. Gasteiger
    in: Software-Development in Chemistry 10
    J. Gasteiger (Editor), GDCh, Frankfurt/Main, 1996, pp. 315-322
  47. Assessing Combinatorial Libraries with Spatial Autocorrelation Functions and Neural Networks
    M. Wagener, J. Sadowski, J. Gasteiger
    in: Software Development in Chemistry 10
    J. Gasteiger (Editor), GDCh, Frankfurt/Main, 1996, pp. 371-380
  48. Treasure Hunt: On the Track of Reusable Structural Information in the World Wide Web
    W.-D. Ihlenfeldt, J. Gasteiger
    in: Software Development in Chemistry 10
    J. Gasteiger (Editor), GDCh, Frankfurt/Main, 1996, pp. 403-413
  49. Evaluation of Molecular Surface Properties Using a Kohonen Neural Network: Studies on Structure-Activity Relationships
    S. Anzali, G. Barnickel, M. Krug, J. Sadowski, M. Wagener, J. Gasteiger
    in: Neural Networks in QSAR and Drug Design
    J. Devillers (Editor), Academic Press, London, 1996, pp. 209-222
  50. Sacherschlieung elektronischer Publikationen: Dissertationen aus der Chemie
    J. Gasteiger, W.-D. Ihlenfeldt, M. Pförtner
    in: Ressourcen nutzen für neue Aufgaben, 86. Deutscher Bibliothekartag in Erlangen 1996, Zeitschrift für Bibliothekswesen und Bibliographie, Sonderheft 66,
    S. Webers (Editor), V. Klostermann, Frankfurt/Main, 1997, pp. 283-395
  51. A Systematic Approach to Finding New Lead Structures Having Biological Activity
    C.H. Schwab, S. Handschuh, A. Teckentrup, M. Wagener, J. Sadowski, J. Gasteiger,
    P. Levi, T. Will, A. Zell, H. Siemens, G. Klebe, T. Mietzner, F. Weber, G. Barnickel,
    S. Anzali, M. Krug
    in: Lecture Notes in Computer Science, 1278
    R. Hofestädt, T. Lengauer, M. Löffler, D. Schomburg (Editors), Springer, Berlin, 1997, pp. 166-177
  52. 3D Structure Coding Opens New Applications for IR Spectroscopy
    J. Schuur, P. Selzer, V. Steinhauer, J. Gasteiger
    in: Linking and Interpreting Spectra through Molecular Structures
    LISMS, Charlton, UK, 1997, pp. 15-28
  53. Stepwise Database Screening as a Tool for Systematic Drug Development
    S. Handschuh , C.H. Schwab, J. Sadowski, A. Teckentrup, M. Wagener, J. Gasteiger,
    T. Will, P. Levi, H. Siemens, A. Zell, G. Klebe, T. Mietzner, F. Weber, S. Anzali, M. Krug, G. Barnickel
    in: Software Development in Chemistry 11
    G. Fels, V. Schubert (Editors), GDCh, Frankfurt/Main, 1997, pp. 183-192
  54. Computer-Assisted Prediction of the Degradation Products and Infrared Spectra of s-Triazine Herbicides
    T. Kostka, P. Selzer, J. Gasteiger
    in: Software Development in Chemistry 11
    G. Fels, V. Schubert (Editors), GDCh, Frankfurt/Main, 1997, pp. 227-233
  55. Kombinierte Anwendung von Pulverröntgenstrukturanalyse und IR-Spektroskopie zur Aufklärung der 3D-Struktur organischer Substanzen
    V. Steinhauer, J. Gasteiger
    in: Software Development in Chemistry 11
    G. Fels, V. Schubert (Editors), GDCh, Frankfurt/Main, 1997, pp. 239-242
  56. Kohonen Neural Network: A Novel Approach to Search for Bioisosteric Groups
    S. Anzali, G. Barnickel, M. Krug, M. Wagener, J. Gasteiger
    in: Computer-Assisted Lead Finding and Optimization
    H. van de Waterbeemd, B. Testa , G. Folkers (Editors), Wiley-VCH, Basel, Schweiz, 1997, pp. 95-106
  57. The Use of Self-Organizing Neural Networks in Drug Design
    S. Anzali, J. Gasteiger, U. Holzgrabe, J. Polanski, J. Sadowski, A. Teckentrup,
    M. Wagener
    in: 3D QSAR in Drug Design - Volume 2
    H. Kubinyi, G. Folkers, Y. C. Martin (Editors), Kluwer/ESCOM, Dordrecht, NL, 1998, pp. 273-299
  58. 3D Structure Descriptors for Biological Activity
    J. Gasteiger, S. Handschuh, M. C. Hemmer, T. Kleinöder, C. H. Schwab, A. Teckentrup,
    J. Sadowski, M. Wagener
    in: Molecular Modelling and Prediction of Bioactivity
    K. Gundertofte, F. S. Jorgensen (Editors), Kluwer Academic Plenum Press, New York, NY, 2000, pp. 157-168
  59. Pharmacophores Derived from 3D Substructure Perception
    S. Handschuh, J. Gasteiger
    in: Pharmacophore: Perception, Development and Use in Drug Design
    O. Güner (Editor), International University Line, La Jolla, CA, 1999, pp. 430-453
  60. Data Mining in Drug Design
    J. Gasteiger
    in: Rational Approaches to Drug Design
    H.-D. Höltje, W. Sippl (Editors), Prous Science, Barcelona, E, 2001, pp. 459-474
  61. Electronic Screening: Lead Finding from Database Mining
    L. Terfloth, J. Gasteiger
    in: The Practice of Medicinal Chemistry, 2nd Edition,
    C. G. Wermuth (Editor), Elsevier, Amsterdam, NL, 2003, pp. 131-145
  62. Representation of Chemical Reactions
    J. Gasteiger
    in: Chemoinformatics - A Textbook,
    J. Gasteiger, T. Engel ( Eds.), Wiley-VCH, Weinheim, 2003, pp. 169-202
  63. Empirical Approaches to the Calculation of Properties
    J. Gasteiger
    in: Chemoinformatics - A Textbook,
    J. Gasteiger, T. Engel (Eds.), Wiley-VCH, Weinheim, 2003, pp. 320-337
  64. The Prediction of Chemical Reactions
    J. Gasteiger
    in: Chemoinformatics - A Textbook,
    J. Gasteiger, T. Engel (Eds.), Wiley-VCH, Weinheim, 2003, pp. 542-567
  65. The Scope of Chemoinformatics
    J. Gasteiger
    in: Handbook of Chemoinformatics - From Data to Knowledge,
    J. Gasteiger (Ed.), Wiley-VCH, Weinheim, 2003, pp. 3-5
  66. A Hierarchy of Structure Representations
    J. Gasteiger
    in: Handbook of Chemoinformatics - From Data to Knowledge,
    J. Gasteiger (Ed.), Wiley-VCH, Weinheim, 2003, pp. 1034-1061
  67. 3D Structure Generation and Conformational Searching
    J. Sadowski, C. H. Schwab, J. Gasteiger
    in: Computational Medicinal Chemistry for Drug Design,
    P. Bultinck, H. DeWinter, W. Langenaeker, J. P. Tollenaere (Editors), Marcel Dekker Inc., New York, 2003, pp. 151-212
  68. Chemie für Mediziner im Vernetzten Studium - Chemie: Einsatzmöglichkeiten und Ergebnisse
    A. Schunk, J. Gasteiger
    in: Limpact
    Heft 7, BIBB, Feb. 2004, s. 3-6
  69. The Computer-Chemie-Centrum of the University of Erlangen-Nuremberg
    J. Gasteiger, T. Clark
    in: Chemoinformatics Developments
    J. H. Noordik (Ed.), IOS Press, Amsterdam, 2004, pp. 69-82
  70. Computer Simulations of Enzyme Reaction Mechanisms: Application of a Hybrid Genetic Algorithm for the Superimposition of Three-Dimensional Chemical Structures
    A. von Homeyer, J. Gasteiger
    in: High Performance Computing in Science and Engineering, Munich 2004
    S. Wagner, W. Hanke, A. Bode, F. Durst (Editors), Springer, Heidelberg, 2004, pp. 261-271
  71. 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
  72. Fingal: A novel Approach to Geometric Fingerprinting and a Comparative Study if uts Application to 3D QSAR Modelling
    N. Brown, B. McKay, J. Gasteiger
    in: EuroQSAR 2004 Proceedings, pp. 72-74
    QSAR and Molecular Modelling in Rational Design of Bioactive Molecules, E. Aki (Sener), I. Yalcin (Editors), Ankara, Turkey, 2006