Fig. 1: Figure summarizing the steps necessary to create the three dendrograms used throughout this manuscript.
From: Using metacommunity ecology to understand environmental metabolomes
The top path (Molecular Characteristics Dendrogram or MCD) demonstrates the relational information provided by molecular properties, like elemental composition and aromaticity index, while the bottom path (Transformation-based Dendrogram or TD) emphasizes the relationships driven by potential biochemical transformation networks. The middle path (Transformation-Weighted Characteristics Dendrogram or TWCD) is a combination of information provided by the top and both paths. All metabolites in the transformation network would have been identified; the numbered metabolites are used to demonstrate the approach. Definition of acronyms under molecular properties: C, H, O, N, S, and P are elemental counts; DBE is double-bond equivalents; AIMod is modified aromaticity index; and kdef is Kendrick defect.
