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What data to provide in a CompoundDb

Open jorainer opened this issue 8 years ago • 1 comments

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?

jorainer avatar Oct 27 '17 09:10 jorainer

Sure, no problem.

stanstrup avatar Oct 27 '17 11:10 stanstrup