Algebraic differentiation for fast sensitivity analysis of optimal flux modes in metabolic models.

ABSTRACT:

Motivation

Sensitivity analysis is a useful tool to identify key parameters in metabolic models. It is typically only applied to the growth rate, disregarding the sensitivity of other solution variables to parameters. Further, sensitivity analysis of elementary flux modes could provide low-dimensional insights into optimal solutions, but they are not defined when a model is subject to inhomogeneous flux constraints, such as the frequently used ATP maintenance reaction.

Results

We introduce optimal flux modes (OFMs), an analogue to elementary flux modes (EFMs), but specifically applied to optimal solutions of constraint-based models. Further, we prove that implicit differentiation can always be used to efficiently calculate the sensitivities of both whole-model solutions and

SUBMITTER: Chapman H 

PROVIDER: S-EPMC12133274 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature