Exploiting stoichiometric redundancies for computational efficiency and network reduction

In Silico Biol. 2015;12(1-2):55-67. doi: 10.3233/ISB-140464.

Abstract

Analysis of metabolic networks typically begins with construction of the stoichiometry matrix, which characterizes the network topology. This matrix provides, via the balance equation, a description of the potential steady-state flow distribution. This paper begins with the observation that the balance equation depends only on the structure of linear redundancies in the network, and so can be stated in a succinct manner, leading to computational efficiencies in steady-state analysis. This alternative description of steady-state behaviour is then used to provide a novel method for network reduction, which complements existing algorithms for describing intracellular networks in terms of input-output macro-reactions (to facilitate bioprocess optimization and control). Finally, it is demonstrated that this novel reduction method can be used to address elementary mode analysis of large networks: the modes supported by a reduced network can capture the input-output modes of a metabolic module with significantly reduced computational effort.

Keywords: Metabolic network; elementary flux modes; metabolic control analysis; metabolic flux analysis; metabolic module; network reduction.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Algorithms
  • Computational Biology* / methods
  • Computational Biology* / standards
  • Computer Simulation
  • Metabolic Networks and Pathways*
  • Models, Biological*