Chemical Reaction Systems, Computer Algebra and Systems Biology

Boulier, François; Lemaire, François; Petitot, Michel; Sedoglavic, Alexandre

doi:10.1007/978-3-642-23568-9_7

Cited by 2 publications

(1 citation statement)

References 28 publications

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“…Additionally, we provide a MAPLE worksheet 1 with implementations of all algorithms applied to the running example. For other applications of computer algebra to chemical reaction networks, we refer to [7,14,36,45].…”

Section: Aa + Bbmentioning

confidence: 99%

Generalized Mass-Action Systems and Positive Solutions of Polynomial Equations with Real and Symbolic Exponents (Invited Talk)

Müller

Regensburger

2014

Computer Algebra in Scientific Computing

104

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Dynamical systems arising from chemical reaction networks with mass action kinetics are the subject of chemical reaction network theory (CRNT). In particular, this theory provides statements about uniqueness, existence, and stability of positive steady states for all rate constants and initial conditions. In terms of the corresponding polynomial equations, the results guarantee uniqueness and existence of positive solutions for all positive parameters. We address a recent extension of CRNT, called generalized mass-action systems, where reaction rates are allowed to be power-laws in the concentrations. In particular, the (real) kinetic orders can differ from the (integer) stoichiometric coefficients. As with mass-action kinetics, complex balancing equilibria are determined by the graph Laplacian of the underlying network and can be characterized by binomial equations and parametrized by monomials. In algebraic terms, we focus on a constructive characterization of positive solutions of polynomial equations with real and symbolic exponents. Uniqueness and existence for all rate constants and initial conditions additionally depend on sign vectors of the stoichiometric and kinetic-order subspaces. This leads to a generalization of Birch's theorem, which is robust with respect to certain perturbations in the exponents. In this context, we discuss the occurrence of multiple complex balancing equilibria. We illustrate our results by a running example and provide a MAPLE worksheet with implementations of all algorithmic methods.

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