A new efficient algorithm for determining all structurally different realizations of kinetic systems

Bernadett Ács, G. Szederkényi, Dávid Csercsik

Research output: Article

2 Citations (Scopus)

Abstract

In this paper we present a novel algorithm for computing all possible reaction graph structures representing linearly conjugate realizations of a polynomial kinetic system assuming a fixed set of complexes. The computation is based on the repeated application of linear programming steps. The correctness of the method is formally proved. The approach is compared to the only solution known from the literature using two examples, and it is shown that the number of optimization steps and the overall execution time are significantly lower in the case of the proposed new method.

Original languageEnglish
Pages (from-to)299-320
Number of pages22
JournalMatch
Volume77
Issue number2
Publication statusPublished - jan. 1 2017

Fingerprint

Linear programming
Efficient Algorithms
Kinetics
Polynomials
Execution Time
Correctness
Linearly
Polynomial
Optimization
Computing
Graph in graph theory

ASJC Scopus subject areas

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

Cite this

A new efficient algorithm for determining all structurally different realizations of kinetic systems. / Ács, Bernadett; Szederkényi, G.; Csercsik, Dávid.

In: Match, Vol. 77, No. 2, 01.01.2017, p. 299-320.

Research output: Article

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