Formal Quantitative Analysis of Reaction Networks Using Chemical Organisation Theory
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Chemical organisation theory is a framework developed to simplify the analysis of long-term behaviour of chemical systems. An organisation is a set of objects which are closed and self-maintaining. In this paper, we build on these ideas to develop novel techniques for formal quantitative analysis of chemical reaction networks, using discrete stochastic models represented as continuous-time Markov chains. We propose methods to identify organisations, to study quantitative properties regarding movement between these organisations and to construct an organisation-based coarse graining of the model that can be used to approximate and predict the behaviour of the original reaction network.
KeywordsChemical Organization Theory Reaction Network Formal Quantitative Analysis Interval Markov Chains Strongly Connected Components (SCCs)
The authors acknowledge support from the European Union through funding under FP7–ICT–2011–8 project HIERATIC (316705). We also thank the anonymous reviewers for their helpful and detailed comments.
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