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Parameter estimation for models of chemical reaction networks from experimental data of reaction rates

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Taylor & Francis Group2022-12-13 更新2026-04-16 收录
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For the purpose of precise mathematical modelling of chemical reaction networks, useful techniques for estimating their parameters from experimental data are necessary. In this manuscript, we propose a new parameter estimation method for enzymatic chemical reaction networks from time-series experimental data of reaction rates. The main idea is based on retrieving time-series data of the species' concentrations from the available experimental data of reaction rates by making use of parametric Bézier curves. The least-squares method is applied to these retrieved data in order to determine the best-fitting values of the parameters in the corresponding mathematical model. Subsequently, we demonstrate the applicability of our parameter estimation method on three examples of enzymatic chemical reaction networks, including a model of ryanodine receptor adaptation and a model of protein kinase cascades. We also address the issue of identifiability of chemical reaction network models from reaction rates.

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2022-12-13
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