Ács, B and Szlobodnyik, G and Szederkényi, Gábor (2018) A computational approach to the structural analysis of uncertain kinetic systems. COMPUTER PHYSICS COMMUNICATIONS, 228. pp. 83-95. ISSN 0010-4655 10.1016/j.cpc.2018.03.002

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Abstract

A computation-oriented representation of uncertain kinetic systems is introduced and analysed in this paper. It is assumed that the monomial coefficients of the ODEs belong to a polytopic set, which defines a set of dynamical systems for an uncertain model. An optimization-based computation model is proposed for the structural analysis of uncertain models. It is shown that the so-called dense realization containing the maximal number of reactions (directed edges) is computable in polynomial time, and it forms a superstructure among all the possible reaction graphs corresponding to an uncertain kinetic model, assuming a fixed set of complexes. The set of core reactions present in all reaction graphs of an uncertain model is also studied. Most importantly, an algorithm is proposed to compute all possible reaction graph structures for an uncertain kinetic model.

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