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For Workflow:
M3 Non-stereo Matching
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The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems. This workflow implements matching algorithm M3 which strips stereochemical information from molecules, performs exact matching, and restores stereochemistry.
Created: 2010-06-03
Credits:
Paul Dobson