Is there a way to construct a polytope from flux samples?

[Juan Sepulveda]

Dear community,

I sampled my model using CHRR and then applied cycleFreeFlux onto my flux samples to get new flux vectors. Now, I want to approximate this cycle-free polytope using those flux vectors. Is there a way to do that? I appreciate your guidance.

Best,

Juan

[Ronan M.T. Fleming]

Hi Juan,

the set of thermodynamically feasible fluxes is a non-convex set, so I doubt you are going to find a method to approximate it by defining the corresponding polytope it is enclosed within as the latter methods work for convex polytopes: https://cgm.cs.mcgill.ca/~avis/C/lrs.html

Regards,

Ronan

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Mr. Ronan MT Fleming B.V.M.S. Dip. Math. Ph.D.
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Associate Professor,

Digital Metabolic Twin Center, www.digitalmetabolictwin.org

& School of Medicine,

& Institute for Clinical Trials,
University of Galway.

Ireland.

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Coordinator of the Horizon Europe project "Reconstruction and Computational Modelling for Inherited Metabolic Diseases" (Recon4IMD)

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[Juan Sepulveda]

Thank you.