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Computer-assisted Reaction Prediction and Synthesis Design
J.
Gasteiger, W. D. Ihlenfeldt, P. Röse, R. Wanke
Anal.
Chim. Acta 1990, 235, 65-75.
The WODCA System
J. Gasteiger, W. D. Ihlenfeldt
in:
"Software-Development in Chemistry 4"
Editor: J.
Gasteiger, Springer-Verlag, Heidelberg 1990, 57-65.
Synthesis Planning Based upon the Similarity of Chemical
Structures
W. D. Ihlenfeldt, J. Gasteiger
in: "Software
Development in Chemistry 5"
Editor: J. Gmehling,
Springer-Verlag, Heidelberg 1991, 59-67.
Similarity Concepts for the Planning of Organic Reactions and
Syntheses
J. Gasteiger, W. D. Ihlenfeldt, R. Fick, J. R. Rose
J.
Chem. Inf. Comput. Sci. 1992, 32, 700-712.
Similarity Criteria for Chemical Structures and Reactions
J.
Gasteiger, W. D. Ihlenfeldt
In "Chemical Structures 2"
W.
A. Warr, Ed.; Springer-Verlag, Berlin 1993, 423-438.
A collection of computer methods for synthesis design and
reaction prediction
J. Gasteiger, W. D. Ihlenfeldt, P. Röse
Recl.
Trav. Chim. Pays-Bas 1992, 111, 270-290.
Synthesis Planning in the 90´s: The WODCA System
R.
Fick, J. Gasteiger, W. D. Ihlenfeldt
AIP-Conference
Proceedings 330: E.C.C.C.1
Computational Chemistry 1995,
526-531.
Editors: F. Bernardi, J. L. Rivail
American Institute
of Physics, Woodbury, NY.
Computer-Assisted Design of Syntheses for Heterocyclic
Compounds
R. Fick, W.D. Ihlenfeldt, J. Gasteiger
Heterocycles
1995, 40, 993-1007.
Computergestützte Planung organisch-chemischer
Synthesen: Die zweite Programmgeneration
W.-D. Ihlenfeldt, J.
Gasteiger
Angew. Chem. 1995, 107, 2807-2829.
Computer-Assisted Planning of Organic Syntheses: The Second
Generation of Programs
W. D. Ihlenfeldt, J. Gasteiger
Angew.
Chem. Int. Ed. Engl. 1995, 34, 2613-2633.
WODCA - A Computer Program for the Design of Organic
Synthesis
M. Pförtner, J. Gasteiger
»Frontiers in
Chemistry: Molecular Basis of the Life Sciences«
37th
IUPAC Congress and 27th GDCh General Meeting.
ISBN
3-924763-82-8.
Berlin, Germany, August 14-19, 1999
Abstracts,
Part 2: Posters 1999, 210.
J. Gasteiger, M. Pförtner, M. Sitzmann, R. Höllering,
O. Sacher, T. Kostka, N. Karg
Computer-Assisted Synthesis and
Reaction Planning in Combinatorial Chemistry.
J. Comp.-Aided
Mol. Des. 2000, 20, 245-264.
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