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Figure 4 | BMC Bioinformatics

Figure 4

From: MetaMapp: mapping and visualizing metabolomic data by integrating information from biochemical pathways and chemical and mass spectral similarity

Figure 4

MetaMapp zoom-ins for results of mapping metabolomic data using three different approaches, focusing on the biochemically strongly related TCA cycle metabolites as example (highlighted with bold labels and red nodes). Identified metabolites are represented by circle nodes; unknown metabolites by square nodes. Red edges denote KEGG reactant pair links; blue edges symbolize Tanimoto chemical similarity at T > 700; yellow edges give mass spectral similarity > 700. Cytoscape session files are given as additional information S8, including metabolite names that have been left out of the network graphs for visual clarity. (A) Mapping 179 identified metabolites solely using Tanimoto chemical similarity as input data. (B) Integration of KEGG reactant pair information with the Tanimoto chemical similarity matrix (threshold T > 700). (C) Integration of KEGG reactant pair information with the Tanimoto chemical similarity matrix of all 179 identified metabolites and the mass spectral similarity matrix of all 459 compounds, including unknowns (squared nodes, exemplified with BinBase database identifier numbers).

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