Computing linearly conjugate weakly reversible kinetic structures using optimization and graph theory

Bernadett Ács, G. Szederkényi, Zoltán A. Tuza, Z. Tuza

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

A graph-theory-based algorithm is given in this paper for computing dense weakly reversible linearly conjugate realizations of kinetic systems using a fixed set of com- plexes. The algorithm is also able to decide whether such a realization exists or not. To prove the correctness of the method, it is shown that weakly reversible linearly conjugate chemical reaction network realizations containing the maximum number of directed edges form a unique super-structure among all linearly conjugate weakly reversible realizations. An illustrative example taken from the literature is used to show the operation of the algorithm.

Original languageEnglish
Pages (from-to)481-504
Number of pages24
JournalMatch
Volume74
Issue number3
Publication statusPublished - 2015

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Structure Optimization
Optimization Theory
Graph theory
Linearly
Kinetics
Computing
Chemical Reaction Networks
Chemical reactions
Correctness

ASJC Scopus subject areas

  • Chemistry(all)
  • Computer Science Applications
  • Computational Theory and Mathematics
  • Applied Mathematics

Cite this

Computing linearly conjugate weakly reversible kinetic structures using optimization and graph theory. / Ács, Bernadett; Szederkényi, G.; Tuza, Zoltán A.; Tuza, Z.

In: Match, Vol. 74, No. 3, 2015, p. 481-504.

Research output: Contribution to journalArticle

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