GGMs on metabolomics data

This page represents the online supplement for our BMC Systems Biology paper "Gaussian graphical modeling reconstructs pathway reactions from high-throughput metabolomics data" from 2011 (original publication) .

In this study we systematically demonstrate the usefulness of Gaussian graphical models, which are based on partial correlation coefficients, for the unbiased reconstruction of metabolic reactions from large-scale metabolomics data.

Supplementary data

  1. Metabolomics data for 1020 samples and 151 metabolites + 15 SNPs from the KORA study. [Download]

  2. Gaussian graphical model and correlation network [Download]

  3. Annotation pages for the 151 metabolites used in our study. [Link]

  4. Toy models used in the paper
    • plain reaction-based text format [Download]
    • MATLAB .m ODE files [Download]
    • MATLAB .mat file with model structures (ERNEST and SB toolbox compatible) [Download]
  5. Normal probability plots (QQ plots) for non-logarithmized and logarithmized metabolite concentrations