MCR XVI. Mathematical Support for Combinatorial Chemistry

Journal of Chemical Information and Computer Sciences

Volumn 40, Issue 3, 2000, Pages 580-587

  Gruber, Bernhard ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042683581     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci990096k     Document Type: Article

References (21)

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2. Gallop, M. A.; Barrett, R. W.; Dower, W. J.; Fodor, S. P. A.; Gordon, E. M. Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions. J. Med. Chem. 1994, 37, 1385-1401.
3. Balkenhohl, F.; von dem Bussche-Hünnefeld, C.; Lansky, A., Zechel, C. Combinatorial Synthesis of Small Organic Molecules. Angew. Chem., Int. Ed. Engl. 1996, 35, 2289-2337.
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10. Ugi, I.; Dugundji, J.; Kopp, R.; Marquarding, D. Perspectives in Theoretical Stereochemistry; Lecture Notes in Chemistry; Springer: Berlin, Heidelberg, New York, Tokyo, 1984.
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12. Gruber, B.; Almstetter, M.; Heilingbrunner, M. MCR IV: Formalisierung chemischer Objekte für die Kombinatorische Chemie. In Chemie und Informatik: Terra incognita oder das Land der unbegrenzten Möglichkeiten; Bernhard Koppenhoefer, Ed.; Shaker-Verlag: Aachen, 1997.
13. Ugi, I.; Bauer, J.; Blomberger, C.; Brandt, J.; Dietz, A.; Fontain, E.; Gruber, B.; Scholley-Pfab, A. v.; Senff, A.; Stein, N. Models, Concepts, Theories, and Formal Languages in Chemistry and Their Use as a Basic for Computer Assistance in Chemistry. J. Chem. Inf. Comput. Sci. 1994, 34, 3-16.
14. Ugi, I.; Bauer, J.; Bley, K.; Dengler, A.; Dietz, A.; Fontain, E.; Gruber, B.; Herges, R.; Knauer, M.; Reitsam, K.; Stein, N. Computer-Assisted Solution of Chemical Problems - The Historical Development and the Present State of the Art of a New Discipline of Chemistry. Angew. Chem., Int. Ed. Engl. 1993, 32, 201-227; Angew. Chem. 1993, 105, 210-239.
15. Ugi, I.; Bauer, J.; Bley, K.; Dengler, A.; Dietz, A.; Fontain, E.; Gruber, B.; Herges, R.; Knauer, M.; Reitsam, K.; Stein, N. Computer-Assisted Solution of Chemical Problems - The Historical Development and the Present State of the Art of a New Discipline of Chemistry. Angew. Chem., Int. Ed. Engl. 1993, 32, 201-227; Angew. Chem. 1993, 105, 210-239.
16. Dugundji, J.; Ugi, I. An Algebraic Model of Constitutional Chemistry as a Basis for Chemical Computer Programs. Top. Curr. Chem. 1973, 39, 19-64.
17. Gruber, B. Algebraische Modellierung der Stereochemie. Dissertation, Technische Universität München, München, 1992.
18. Gruber, B. Eine lineare algebraische Repräsentation für Objekte der Syntheseplanung. Moll, R., Ed.; In Software-Entwicklung in der Chemie 9, Proceedings of the 9th Workshop Computer in Chemistry, 16-18 November 1994, Bitterfeld, 99-111;
19. Gesellschaft Deutscher Chemiker; Frankfurt, 1995.
20. Hoffmann, C. M. Group-Theoretic Algorithms and Graph Isomorphisms. Lecture Notes in Computer Science 136; Springer: Berlin, Heidelberg, New York, 1982. Algorithms are available via the Internet at http://c2h5oh.org.chemie.tu-muenchen.de/persons/gruber/algorithmen/.
21. Gruber, B. MCR XV. Combinatorial Chemistry can be Formalized Proceedings of the German-Polish Workshop on Multicomponent Reactions & Combinatorial Chemistry. Rzeszow 28-30 September 1997; Zdzislaw S. Hippe, Ed.