Sampling from the Solution Space and Metabolic Environments of Genome-Scale Metabolic Models

arXiv:2603.29546v1 Announce Type: new
Abstract: Flux sampling is an analysis that, based on a distribution, picks randomly an efficient number of points from the solution space of a metabolic model. Unlike most constraint-based analyses, flux sampling does not require an objective function to optimize, allowing for the exploration of the whole spectrum of the phenotypes a species can exhibit. However, sampling can also be restricted to a subspace where a chosen objective reaches at least a specified fraction of its optimum. This targeted approach adds value when investigating phenotypes that are optimal for a specific function. Contrary to Flux Balance Analysis, which returns a single solution, sampling leverages statistical power to uncover phenotypes that otherwise would be masked. This can be especially useful when changing the conditions (medium) in which a species lives. Here, we highlight some state-of-the-art methods for applying flux sampling at Genome-Scale Metabolic Models in different scenarios, and we showcase flux sampling applications