Reachability analysis of low-order discrete state reaction networks obeying conservation laws

Gergely Szlobodnyik, G. Szederkényi

Research output: Contribution to journalArticle

Abstract

In this paper we study the reachability problem of sub- A nd superconservative discrete state chemical reaction networks (d-CRNs). It is known that a subconservative network has bounded reachable state space, while that of a superconservative one is unbounded. The reachability problem of superconservative reaction networks is traced back to the reachability of subconservative ones. We consider network structures composed of reactions having at most one input and one output species beyond the possible catalyzers. We give a proof that, assuming all the reactions are charged in the initial and target states, the reachability problems of sub- A nd superconservative reaction networks are equivalent to the existence of nonnegative integer solution of the corresponding d-CRN state equations. Using this result, the reachability problem is reformulated as an Integer Linear Programming (ILP) feasibility problem. Therefore, the number of feasible trajectories satisfying the reachability relation can be counted in polynomial time in the number of species and in the distance of initial and target states, assuming fixed number of reactions in the system.

Original languageEnglish
Article number1035974
JournalComplexity
Volume2019
DOIs
Publication statusPublished - Jan 1 2019

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conservation laws
integers
chemical reactions
linear programming
polynomials
equations of state
trajectories
output

ASJC Scopus subject areas

  • General

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Reachability analysis of low-order discrete state reaction networks obeying conservation laws. / Szlobodnyik, Gergely; Szederkényi, G.

In: Complexity, Vol. 2019, 1035974, 01.01.2019.

Research output: Contribution to journalArticle

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