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arXiv 1005.2913q-bio.MN
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反应动力学系统的最大和最小实现:计算和性质

Maximal and minimal realizations of reaction kinetic systems: computation and properties

Gabor Szederkenyi, Katalin M. Hangos, Tamas Peni

摘要:

本文提出了关于基于优化的高亏化学反应网络(CRN)生成的新结果。首先,它表明,如果可能的复合物的集合是固定的,包含最大数量的反应的实现的图结构是唯一的。其次,给出了一个基于混合整数规划的数值方法,用于计算包含最小/最大复形数的实现。此外,线性不等式对应的CRN实现的完全可逆性也被描述。有意义的例子说明的理论结果。

英文摘要:

This paper presents new results about the optimization based generation of chemical reaction networks (CRNs) of higher deficiency. Firstly, it is shown that the graph structure of the realization containing the maximal number of reactions is unique if the set of possible complexes is fixed. Secondly, a mixed integer programming based numerical procedure is given for computing a realization containing the minimal/maximal number of complexes. Moreover, the linear inequalities corresponding to full reversibility of the CRN realization are also described. The theoretical results are illustrated on meaningful examples.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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