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eladnoor / component-contribution

Standard reaction Gibbs energy estimation for biochemical reactions
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Give new database IDs to the kegg_additions #25

Open eladnoor opened 5 years ago

eladnoor commented 5 years ago

Now, we issue "fake" IDs that look like KEGG, with high numbers (e.g. C80067). This is confusing and should be changed to something like COCO:C00001 (COCO for COmponent-COntribution).

eladnoor commented 5 years ago

This options will be used only in cases where the compound has no InChI and cannot be found in any of the standard databases. For example, "a quinone" is a class of compounds and therefore has no InChI, however we can use the MetaNetX identifier MNXM2499 instead of defining a new one.