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Fix gpr curation for histidine metabolism, propanoate metabolism and nucleotide metabolism #884

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@JHL-452b JHL-452b commented Oct 23, 2024

Main improvements in this PR:

As proposed in #843 #844 #846

  • Remove ENSG00000173418, ENSG00000139977, ENSG00000156269 from MAR04426;

  • Remove ENSG00000132437 from MAR04428;

  • Remove ENSG00000138744, ENSG00000078124, ENSG00000172264, ENSG00000068903 from MAR05336;

  • Remove ENSG00000117682, ENSG00000183665 from MAR05337;

  • Remove ENSG00000012660, ENSG00000170522, ENSG00000118402 from MAR05338;

  • Remove ENSG00000078124, ENSG00000156795 from MAR05339;

  • Remove ENSG00000138744, ENSG00000078124, ENSG00000133315, ENSG00000172264, ENSG00000142082 from MAR05340;

  • Remove ENSG00000116133 from MAR04497;

  • Remove ENSG00000121039, ENSG00000176387, ENSG00000170786, ENSG00000187134, ENSG00000087076, ENSG00000160439, ENSG00000099377 from MAR09804;

  • Remove ENSG00000125877 from MAR03966;

  • Remove ENSG00000168393 from MAR03968;

  • Remove ENSG00000196839 from MAR04633;

  • Remove ENSG00000168393 from MAR04640;

  • Remove ENSG00000125458, ENSG00000205309, ENSG00000122643 from MAR07713;

  • Remove ENSG00000125458 from MAR07716;

  • Remove ENSG00000125458, ENSG00000205309 from MAR07721;

  • Remove ENSG00000122643, ENSG00000076685, ENSG00000141698 from MAR07725;

  • Remove ENSG00000205309 from MAR07728;

  • Remove ENSG00000143156 from MAR07883;

  • Remove ENSG00000143156 from MAR07890;

  • Remove ENSG00000143156 from MAR07895;

  • Remove ENSG00000073417, ENSG00000065989, ENSG00000205268, ENSG00000113231 from MAR08083;

  • Remove ENSG00000065989, ENSG00000205268, ENSG00000184588, ENSG00000113231, ENSG00000171408 from MAR08085;

  • Remove ENSG00000095464, ENSG00000132915, ENSG00000160191, ENSG00000133256, ENSG00000138735 from MAR08087;

  • Remove ENSG00000170502 from MAR08443;

  • Remove ENSG00000170502 from MAR08444;

  • Remove ENSG00000162368 from MAR08450;

  • Remove ENSG00000171302 from MAR08474;

  • Remove ENSG00000156269, ENSG00000139977 and ENSG00000183665 from model as they are not connected to any reactions after this curation.

I hereby confirm that I have:

  • Tested my code on my own computer for running the model
  • Selected develop as a target branch
  • Any removed reactions and metabolites have been moved to the corresponding deprecated identifier lists

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This PR has been automatically tested with GH Actions. Here is the output of the macaw test:

Starting dead-end test...
- Found 1514 dead-end metabolites.
- Found 1319 reactions incapable of sustaining steady-state fluxes in either direction due to these dead-ends.
- Found 1977 reversible reactions that can only carry steady-state fluxes in a single direction due to dead-ends.
Starting duplicate test...
- Skipping redox duplicates because no redox_pairs and/or proton_ids were provided.
- Found 447 reactions that were some type of duplicate:
- 0 were completely identical to at least one other reaction.
- 13 involve the same metabolites but go in the opposite direction or have the opposite reversibility as at least one other reaction.
- 447 involve the same metabolites but with different coefficients as at least one other reaction.

A more detailed output from this test run is also committed to data/macawResults/macaw_results.csv.

Note: In the case of multiple test runs, this post will be edited.

@JHL-452b JHL-452b changed the title Fix gpr curation for histidine metabolism propanoate metabolism nucleotide metabolism Fix gpr curation for histidine metabolism, propanoate metabolism and nucleotide metabolism Oct 28, 2024
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