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Fix: GPR curation for Androgen metabolism and Prostaglandin biosynthesis #935

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JHL-452b
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@JHL-452b JHL-452b commented Dec 7, 2024

Main improvements in this PR:

As proposed in #889

  • Remove ENSG00000163684 from MAR01321;
  • Remove ENSG00000196139 from MAR01325;
  • Remove ENSG00000163684 from MAR01395;
  • Remove ENSG00000197580 from MAR01959;
  • Remove ENSG00000197580 from MAR01960;
  • Remove ENSG00000149084 from MAR01973;
  • Remove ENSG00000086696, ENSG00000204228 from MAR01974.

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 7, 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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LGTM!

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

     cellLine     TP     TN     FP    FN     accuracy    sensitivity    specificity       F1         MCC   
__________ __ ____ __ ___ ________ ___________ ___________ ________ ________

{'DLD1' } 36 2183 59 279 0.86781 0.11429 0.97368 0.17561 0.15286
{'GBM' } 34 2163 61 298 0.85955 0.10241 0.97257 0.15925 0.13325
{'HCT116'} 46 2205 53 309 0.86146 0.12958 0.97653 0.20264 0.19042
{'HELA' } 30 2262 69 253 0.87682 0.10601 0.9704 0.15707 0.12437
{'RPE1' } 14 2202 81 259 0.86698 0.051282 0.96452 0.076087 0.025801
{'all' } 7 2406 92 109 0.92311 0.060345 0.96317 0.065116 0.025368

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

…olism-and-Prostaglandin_biosynthesis

# Conflicts:
#	data/testResults/README.md
@edkerk edkerk merged commit 5af4173 into develop Dec 17, 2024
0 of 6 checks passed
@edkerk edkerk deleted the Fix-Androgen_metabolism-and-Prostaglandin_biosynthesis branch December 17, 2024 01:03
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4 participants