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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry

Fig. 5

Chemical similarity network depicting the structural similarities among the top candidates from GNPS, MassBank, and HMDB (no annotations from SIRIUS are recorded for this feature). The nodes represent a chemical structure (as candidates). The edges represent the Tanimoto similarity score (tn) between the two nodes. The asterisk (*) shows the top-ranking candidate from each source that is present in the network. The network with the most nodes is zoomed in to visualize that G_15 (15th rank candidate from GNPS), H_12 (12th rank candidate from HMDB), M_2, and M_13 (2nd and 13th rank candidates from MassBank) have a structure with a Tanimoto similarity score equal to 1 and hence it is most probable to consider this structure to be annotated to the feature M287R318

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