Metabolite clustering: Difference between revisions
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Latest revision as of 19:21, 20 June 2015
To cluster metabolites:
- for each metabolite
- compute number of similar metabolites
- rank from most to fewest neighbors
- for each ranked metabolite, take all its relatives out of the list
- continue until there are no metabolites left.
- you now have core metabolites representing architypes, together with their neighbors
- variant: modify the similiarity metric (default 0.5 dice)