Graph-theoretic interpretation of chemical compounds and chemical reactions

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Doklady Bashkirskogo Universiteta. 2016. Volume 1. No. 1. pp. 36-39.

Authors

Ismagilova A. S.*
Bashkir State University
32, Validy Str., 450076, Ufa, Russia
Ahmetyanova A. I.
Bashkir State University
32, Validy Str., 450076, Ufa, Russia
Spivak S. I.
Bashkir State University
32, Validy Str., 450076, Ufa, Russia

Abstract

In this paper shows a graph-theoretical interpretation of a chemical compounds and chemical reactions. This interpretation is the basis for determining the basis of routes, the basis of key materials and basis homodesmical reactions. Described in this paper algorithms are an important part of the decomposition of the system under study for further transition to the problems of lower dimension.

Keywords

  • graph of a reaction
  • graph of a chemical compound
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