Linked Metabolites: A tool for the construction of directed metabolic graphs
Metabolic pathway diagrams provide a wealth of information on how reactions combine to perform biological functions. While pathway diagrams are arranged in a way that allows a specific area of metabolism to be visualised, the inherent complexity of each pathway makes it difficult to identify the sets of reactions linking groups of compounds; a common task for researchers attempting to explain observed correlations or looking for further compounds of potential interest to use in validation work. Here we introduce Linked Metabolites, a tool that identifies sets of reactions linking groups of compounds in the context of the KEGG pathway diagrams.
metabolic pathways kegg metabolomics directed graphs all simple paths search