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Currently, for metabolic flux analysis, MFAPipe models the independent fluxes of the reaction network as the independent variables of the regression. Hence, the values of the independent fluxes are fitted to the model-specified isotopic labeling states of the moieties in the reaction network.

A useful enhancement would be to model the labeling percentages of the individual atoms of each isotopically-labeled substrate as independent variables. In principal, this would enable MFAPipe to fit the values of the labeling percentages to the user-specified isotopic labeling state of the moieties in the reaction network.

Potential applications for this proposed enhancement include:

• Dijkstra, P., Dalder, J. J., Selmants, P. C., Hart, S. C., Koch, G. W., Schwartz, E., & Hungate, B. A. (2011). Modeling soil metabolic processes using isotopologue pairs of position-specific 13C-labeled glucose and pyruvate. Soil Biology and Biochemistry, 43(9), 1848–1857. https://doi.org/10.1016/j.soilbio.2011.05.001