Add inchikey14 and smiles column to molecule model

NLeSC / MAGMa

eMetabolomics project: Mass Annotation based on in silico Generated Metabolites

http://www.emetabolomics.org

Apache License 2.0

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Closed sverhoeven closed 9 years ago

sverhoeven commented 9 years ago

The inchikey14 is used as unique index and smiles as a molecules panel column and in the molecules.csv download.

sverhoeven commented 9 years ago

Fill them when adding molecules to table.

ridderl commented 9 years ago

Done