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Found 13 Documents (Results 1–13)

Mathematical chemistry and chemoinformatics. Structure generation, elucidation and quantitative structure. Property relationships. (English) Zbl 1309.92006

Berlin: De Gruyter (ISBN 978-3-11-030007-9/hbk; 978-3-11-025407-5/ebook). xxix, 491 p. (2014).
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Constrained generation of molecular graphs. (English) Zbl 1092.92051

Fajtlowicz, Siemion (ed.) et al., Graphs and discovery. Proceedings of the DIMACS working group, computer-generated conjectures from graph theoretic and chemical databases, November 12–16, 2001, and DIMACS public event, graph theory day 42, November 10, 2001, Piscataway, NJ, USA. Providence, RI: American Mathematical Society (AMS) (ISBN 0-8218-3761-3/hbk). DIMACS. Series in Discrete Mathematics and Theoretical Computer Science 69, 319-331 (2005).
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Computeralgebra and the systematic construction of finite unlabeled structures. (English) Zbl 0974.05004

Ganzha, Viktor G. (ed.) et al., Computer algebra in scientific computing. CASC 2000. Proceedings of the 3rd workshop, Samarkand, Uzbekistan, October 5-9, 2000. Berlin: Springer. 249-271 (2000).
MSC:  05A15 68W30 90C27 05C90 05E20 92E10 94B05
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Discrete mathematics for combinatorial chemistry. (English) Zbl 0954.92034

Hansen, Pierre (ed.) et al., Discrete mathematical chemistry. Proceedings of the DIMACS workshop, Rutgers University, New Brunswick, NJ, USA, March 23-24, 1998. Providence, RI: American Mathematical Society (AMS). DIMACS, Ser. Discrete Math. Theor. Comput. Sci. 51, 225-234 (2000).
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Isomorphism rejection in structure generation programs. (English) Zbl 0963.05126

Hansen, Pierre (ed.) et al., Discrete mathematical chemistry. Proceedings of the DIMACS workshop, Rutgers University, New Brunswick, NJ, USA, March 23-24, 1998. Providence, RI: American Mathematical Society (AMS). DIMACS, Ser. Discrete Math. Theor. Comput. Sci. 51, 25-38 (2000).
MSC:  05C85 05C90 92E10
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Chemical isomerism, a challenge for algebraic combinatorics and for computer science. (English) Zbl 0879.05066

Cohen, Gérard (ed.) et al., Applied algebra, algebraic algorithms and error-correcting codes. 11th international symposium, AAECC-11, Paris, France, July 17-22, 1995. Proceedings. Berlin: Springer-Verlag. Lect. Notes Comput. Sci. 948, 4-20 (1995).
MSC:  05C90 92E10
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