Theory of Aogorithms to Analyse Chemical Reaction Systems for Molecular Robotics

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We established a theory of efficiently computing an equilibrium of a complex chemical reaction system, where molecules interact in various ways to produce a large set of assemblies. In this theory, we used hypergraph theory and optimization theory in a unified manner, and succeeded in the recuction of the number of variables which are needed for the computation of chemical equilibrium. The theory was applied to the computation of equilibrium of intearacting nucleic ascid strands. It was also extendedly applied to the approximate and efficient simulation of kinetic folding of an RNA molecule.