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feat: improve metabolite annotations #30

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@sulheim

Description

@sulheim

Description of the issue:

All metabolites in the model should have chebi-identifiers. This was explicitly mentioned during the Cobra-conference 2018, and seems to be a consensus. The identifier is described here: https://www.ebi.ac.uk/miriam/main/datatypes/MIR:00000002

Expected feature/value/output:

Model where all metabolites have been annotated with a chebi-identifier.

Current feature/value/output:

511 of 2015 metabolites are missing the chebi-identifier

Reproducing these results:

import cobra
model = cobra.io.read_sbml_model("./ModelFiles/xml/scoGEM.xml")
j = 0
   ...: for i in model.metabolites:
   ...:     try:
   ...:         i.annotation["chebi"]
   ...:     except:
   ...:         j+=1
print("N metabolites: ", len(model.metabolites))
print("N metabolites without chebi-annotation: ", j)

I hereby confirm that I have:

  • Tested my code with all requirements for running the model
  • Done this analysis in the master branch of the repository
  • Checked that a similar issue does not exist already

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