CompoundDb
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What data to provide in a CompoundDb
Based on https://github.com/stanstrup/PeakABro I'm extracting the following information:
- id (column
"compound_id") - name (columns
"compound_name"). - inchi
- formula
- mass
Is there anything else that might at some point be interesting? @stanstrup? @SiggiSmara?
Also, I renamed id into compound_id and name into compound_name to avoid potential column name clashes and specify for what type of entity the id and the name is. @stanstrup, that OK with you?
Sure, no problem.