Szlobodnyik, Gergely and Szederkényi, Gábor (2023) Polynomial Time Reachability Analysis in Discrete State Chemical Reaction Networks Obeying Conservation Laws. MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 89 (1). pp. 175-196. ISSN 0340-6253 10.46793/match.89-1.175S

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Abstract

In this paper the reachability problem of discrete state Chemical Reaction Networks (d-CRNs) is studied. We consider sub-classes of sub-and superconservative d-CRN network structures and prove that the reachability relation can be decided in polynomial time. We make use of the result that in the studied d-CRN sub-classes, the reachability relation is equivalent to the existence of a non-negative integer solution of the d-CRN state equation. The equivalence implies the reformulation of the reachability problem as integer linear programming decision problem. We show that in the studied classes of d-CRN structures, the state equation has a totally unimodular coefficient matrix. As the reachability relation is equivalent to the non-negative integer solution of the state equation, the resulting integer programming decision program can be relaxed to a simple linear program having polynomial time complexity. Hence, in the studied sub-classes of sub and superconservative reaction network structures, the reachability relation can be decided in polynomial time and the number of continuous decision variables is equal to the number of reactions of the d-CRN.

Item Type:	Article
Subjects:	Q Science > QA Mathematics and Computer Science > QA75 Electronic computers. Computer science / számítástechnika, számítógéptudomány
Divisions:	Systems and Control Lab
SWORD Depositor:	MTMT Injector
Depositing User:	MTMT Injector
Date Deposited:	18 May 2023 07:22
Last Modified:	11 Sep 2023 14:58
URI:	https://eprints.sztaki.hu/id/eprint/10520

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