Computing zero deficiency realizations of kinetic systems

Lipták, György and Szederkényi, Gábor and Hangos, Katalin (2015) Computing zero deficiency realizations of kinetic systems. SYSTEMS & CONTROL LETTERS, 81. pp. 24-30. ISSN 0167-6911 10.1016/j.sysconle.2015.05.001


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In the literature, there exist strong results on the qualitative dynamical properties of chemical reaction networks (also called kinetic systems) governed by the mass action law and having zero deficiency. However, it is known that different network structures with different deficiencies may correspond to the same kinetic differential equations. In this paper, an optimization-based approach is presented for the computation of deficiency zero reaction network structures that are linearly conjugate to a given kinetic dynamics. Through establishing an equivalent condition for zero deficiency, the problem is traced back to the solution of an appropriately constructed mixed integer linear programming problem. Furthermore, it is shown that weakly reversible deficiency zero realizations can be determined in polynomial time using standard linear programming. Two examples are given for the illustration of the proposed methods. © 2015 Elsevier B.V. All rights reserved.

Item Type: Article
Uncontrolled Keywords: Integer programming; Network structures; Mixed integer linear programming problems; Equivalent condition; Dynamical properties; Polynomial approximation; KINETICS; Differential equations; Chemical reactions; Optimization; Nonnegative systems; kinetic systems; Dynamical equivalence; Chemical reaction networks
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 Sep 2015 08:43
Last Modified: 24 Nov 2016 08:47

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