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Fix: GPR curation for miscellaneous isolated drug metabolism #931

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merged 3 commits into from
Dec 17, 2024

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JHL-452b
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@JHL-452b JHL-452b commented Dec 5, 2024

Main improvements in this PR:

As proposed in #876

  • Remove ENSG00000180011 from MAR04202;
  • Remove ENSG00000115705 from MAR08752;
  • Remove ENSG00000184254 from MAR02195;
  • Remove ENSG00000184254 from MAR02197;
  • Remove ENSG00000184254 from MAR02189;
  • Remove ENSG00000168137, ENSG00000243056 from MAR09464;
  • Remove ENSG00000141560, ENSG00000172456, ENSG00000162408, ENSG00000116199 from MAR09466;
  • Remove ENSG00000116199 from MAR09467;
  • Remove ENSG00000133048 from MAR09485;
  • Remove ENSG00000198408 from MAR09495;
  • Remove ENSG00000221988 from MAR09499;
  • Remove ENSG00000213722 from MAR09513;
  • Remove ENSG00000150656 from MAR06861;
  • Remove ENSG00000197506 from MAR12460;
  • Remove ENSG00000197506, ENSG00000156222 from MAR12471;
  • Remove ENSG00000168137, ENSG00000198408, ENSG00000213722 and ENSG00000243056 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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github-actions bot commented Dec 5, 2024

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.

This and a more detailed output from MACAW are also committed to data/macawResults/.

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

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@feiranl feiranl left a comment

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LGTM!

…Isolated_Drug_metabolism

# Conflicts:
#	data/testResults/README.md
@edkerk edkerk merged commit 18782b4 into develop Dec 17, 2024
0 of 6 checks passed
@edkerk edkerk deleted the Fix-Miscellaneous_Isolated_Drug_metabolism branch December 17, 2024 01:00
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3 participants