Chemical Integration of ODEs using Idealized Abstract Solutions

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Publication date: 23 January 2023

Abstract: In this work, we propose a general inversion framework to non-uniquely invert a very large class of ordinary differential equations (ODEs) into chemical reaction networks. A thorough treatment of the relevant chemical reaction network theory from the literature is given. Various simulation results are provided to augment the selection procedure for the inverse framework, where a previously known kineticization strategy is shown to be deterministically excellent but undesirable in chemical simulations. The utility of the framework is verified by simulating reaction network forms of meaningful ODE systems, and their time series are analyzed. In particular, we provide simulations of deterministic chaotic attractors whose newly discovered reaction networks are non-equivalent with any existing chemical interpretations within the literature, as well as presenting exemplary figures which may form a roadmap to the successful biochemical implementation of the integration of ODE systems.

Has companion code repository: https://github.com/leesh-1/autogillespie

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