- 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
- ChemInform - An Integrated Information System
on Chemical Reactions
A. Parlow, C. Weiske, J. Gasteiger
J. Chem. Inf. Comput. Sci., 30, 400-402 (1990)
- 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
- ChemInform - Vom gedruckten Referatedienst
zur Reaktionendatenbank
J. Gasteiger, C. Weiske
Nachr. Chem. Tech. Lab., 40, 1114-1120 (1992)
- 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)
- 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
- 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
- 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
- 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)
- 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
- 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)
- 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)
- Database Mining:
From Information to Knowledge
J. Gasteiger
Proceed. 1997 Chem. Inf. Conf., H. Collier (Editor),
Infonortics Ltd. Calne, UK, 1997, pp.1-6
- 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)
- 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
- Enabling the exploration of biochemical pathways
M. Reitz, O. Sacher, A. Tarkhov, D. Trümbach, J. Gasteiger
Org. Biomol. Chem., 2, 3226-3237 (2004)
- Query Generation to Search for
Inhibitors of Enzymatic Reactions
M. Reitz, A. v. Homeyer, J. Gasteiger
J. Chem. Inf. Model., 46, 2333-2341 (2006)
- Analyzing Biochemical Pathways Using Neural Networks and
Genetic Algorithms
J. Gasteiger, M. Reitz, Y. Han, O. Sacher
Aust. J. Chem., 59, 854-858 (2006)
- 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
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