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arxiv: 1203.3395 · v1 · pith:35KAMFPEnew · submitted 2012-03-15 · ⚛️ physics.chem-ph · physics.bio-ph· q-bio.MN

Specification, Construction, and Exact Reduction of State Transition System Models of Biochemical Processes

classification ⚛️ physics.chem-ph physics.bio-phq-bio.MN
keywords modelreductionhigh-levelsystemsbiochemicalexactmodelsnumber
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Biochemical reaction systems may be viewed as discrete event processes characterized by a number of states and state transitions. These systems may be modeled as state transition systems with transitions representing individual reaction events. Since they often involve a large number of interactions, it can be difficult to construct such a model for a system, and since the resulting state-level model can involve a huge number of states, model analysis can be difficult or impossible. Here, we describe methods for the high-level specification of a system using hypergraphs, for the automated generation of a state-level model from a high-level model, and for the exact reduction of a state-level model using information from the high-level model. Exact reduction is achieved through the automated application of symmetry reduction and invariant manifold reduction techniques to the high-level model, allowing potentially significant reductions without the need to generate a full model. The application of the method to biochemical reaction systems is illustrated by models describing a hypothetical ion-channel at several levels of complexity. The method allows for the reduction of the otherwise intractable example models to a manageable size.

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