Novel Approach to Classify Plants Based on Metabolite-Content Similarity

Figure 1

(a) Bipartite graph of plant-metabolite relations. Molecular structures of metabolites are described by 166-bit atom pair fingerprints, which are used to calculate Tanimoto structure similarity score for each metabolite pair. (b) Bipartite graph of plant versus metabolite-group relations. Each plant has been associated with metabolite groups instead of single metabolites to reduce effect of incomplete data.

(a)

(b)