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The Facets of Structure Elucidation

January 5, 2009
by Arvin Moser, Team Manager, Application Scientists, ACD/Labs

I would like to begin the new year with a weblog that summarizes the components of an elucidation process. Each component, shown as a Venn-like diagram below, can blend in with the next until a conclusion is reached. The goal for the elucidator is to exhaust all aspects of each possible component thus ensuring that nothing is overlooked.

Collect/Process/Organize Data

Dereplication/Database/Library search

Peak matching

Fragment assembly

Verification

Publish/Report/Present/Store

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