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A new constraint-based description of the steady-state flux cone of metabolic networks

机译：基于新的基于约束的代谢网络稳态通量锥描述

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Metabolic pathway analysis is an important area in computational biology, which has received considerable attention in the recent past. The set of all possible flux distributions over a metabolic network at steady state defines a polyhedral cone, the steady-state flux cone. Two major approaches exist to characterize this cone: elementary flux modes and extreme pathways. Both use an inner description of the flux cone, which is based on sets of generating vectors. The number of these generators may be very large even for small networks. This limits the practical applicability of these methods. We present a new constraint-based approach to metabolic pathway analysis which uses an outer description of the flux cone, based on sets of non-negativity constraints. These can be identified with irreversible reactions and thus have a direct biochemical interpretation. The resulting description of the flux cone is minimal and unique. Furthermore, it satisfies a simplicity condition similar to the one that holds for elementary flux modes.
机译：代谢途径分析是计算生物学中的一个重要领域，近来受到了广泛的关注。稳态下代谢网络上所有可能的通量分布的集合定义了一个多面体锥，即稳态通量锥。存在两种主要的方法来表征该圆锥体：基本通量模式和极限路径。两者都使用基于生成矢量集的磁通量的内部描述。即使对于小型网络，这些生成器的数量也可能非常大。这限制了这些方法的实际适用性。我们提出了一种基于约束的新陈代谢途径分析方法，该方法使用了基于非负约束集的磁通量锥体的外部描述。这些可以通过不可逆的反应鉴定，因此具有直接的生化解释。磁通锥的最终描述是最小且唯一的。此外，它满足与基本通量模式相似的简单条件。

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