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

被引:3
|
作者
Gasparyan, Manvel [1 ,2 ]
Van Messem, Arnout [1 ,3 ,4 ]
Rao, Shodhan [1 ,2 ]
机构
[1] Ghent Univ Global Campus, Ctr Biosyst & Biotech Data Sci, Incheon, South Korea
[2] Univ Ghent, Dept Data Anal & Math Modelling, Ghent, Belgium
[3] Univ Ghent, Dept Appl Math Comp Sci & Stat, Ghent, Belgium
[4] Univ Liege, Dept Math, Liege, Belgium
关键词
Systems biology; bottom-up modelling approach; system identification; Bezier curves; least squares method; IDENTIFIABILITY; SYSTEMS; IDENTIFICATION; REDUCTION;
D O I
10.1080/00207179.2021.1998636
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
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 Bezier 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.
引用
收藏
页码:392 / 407
页数:16
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