Polynomial Time Reachability Analysis in Discrete State Chemical Reaction Networks Obeying Conservation Laws
Szlobodnyik, Gergely and Szederkényi, Gábor (2023) Polynomial Time Reachability Analysis in Discrete State Chemical Reaction Networks Obeying Conservation Laws. MATCHCOMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 89 (1). pp. 175196. ISSN 03406253 10.46793/match.891.175S

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Abstract
In this paper the reachability problem of discrete state Chemical Reaction Networks (dCRNs) is studied. We consider subclasses of suband superconservative dCRN network structures and prove that the reachability relation can be decided in polynomial time. We make use of the result that in the studied dCRN subclasses, the reachability relation is equivalent to the existence of a nonnegative integer solution of the dCRN 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 dCRN structures, the state equation has a totally unimodular coefficient matrix. As the reachability relation is equivalent to the nonnegative 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 subclasses 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 dCRN.
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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