Finding weakly reversible realizations of chemical réaction networks using optimization

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics. The original problem statement can be traced back at least 30 years ago. The algorithm uses standard linear and mixed integer linear programming, and it is based on elementary graph theory and important former results on the dense realizations of CRNs. The proposed method is also capable of determining if no dynamically equivalent weakly reversible structure exists for a given reaction network with a previously fixed complex set.

Original languageEnglish
Pages (from-to)193-212
Number of pages20
JournalMatch
Volume67
Issue number1
Publication statusPublished - Dec 1 2012

ASJC Scopus subject areas

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

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