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从少数物种中识别一类生化反应网络。

Identifiability from a Few Species for a Class of Biochemical Reaction Networks.

机构信息

Universidad de Buenos Aires, Facultad de Ciencias Exactas y Naturales, Departamento de Matemática, Ciudad Universitaria, Pab. I, C1428EGA, Buenos Aires, Argentina.

Universidad de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Instituto de Investigaciones Matemáticas "Luis A. Santaló" (IMAS), Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria, Pab. I, C1428EGA, Buenos Aires, Argentina.

出版信息

Bull Math Biol. 2019 Jul;81(7):2133-2175. doi: 10.1007/s11538-019-00594-0. Epub 2019 Mar 22.

Abstract

Under mass-action kinetics, biochemical reaction networks give rise to polynomial autonomous dynamical systems whose parameters are often difficult to estimate. We deal in this paper with the problem of identifying the kinetic parameters of a class of biochemical networks which are abundant, such as multisite phosphorylation systems and phosphorylation cascades (for example, MAPK cascades). For any system of this class, we explicitly exhibit a single species for each connected component of the associated digraph such that the successive total derivatives of its concentration allow us to identify all the parameters occurring in the component. The number of derivatives needed is bounded essentially by the length of the corresponding connected component of the digraph. Moreover, in the particular case of the cascades, we show that the parameters can be identified from a bounded number of successive derivatives of the last product of the last layer. This theoretical result induces also a heuristic interpolation-based identifiability procedure to recover the values of the rate constants from exact measurements.

摘要

在质量作用动力学下,生化反应网络产生多项式自治动力系统,其参数通常难以估计。本文针对一类丰富的生化网络的动力学参数识别问题进行研究,如多位点磷酸化系统和磷酸化级联(例如 MAPK 级联)。对于此类系统中的任何一个系统,我们为关联有向图的每个连通分量显式地展示一个单一物种,使得其浓度的连续总导数可以识别出分量中出现的所有参数。所需导数的数量基本上由有向图的相应连通分量的长度所限定。此外,在级联的特殊情况下,我们表明可以从最后一层的最后一个乘积的有限个连续导数中识别出参数。这一理论结果还引出了一种基于启发式插值的可识别性程序,以从精确测量中恢复速率常数的值。

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