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Fix-GPR curation for fatty_acid_oxidation and Glycerolipid_metabolism #928

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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 4, 2024

Main improvements in this PR:

As proposed in #848

  • Remove ENSG00000196344 from MAR00453;
  • Remove ENSG00000196616, ENSG00000196344 from MAR00458;
  • Remove ENSG00000169169 from MAR01488;
  • Remove ENSG00000161533 from MAR03291;
  • Remove ENSG00000068366, ENSG00000103740, ENSG00000119673, ENSG00000123983, ENSG00000130377, ENSG00000151726, ENSG00000164398, ENSG00000177465, ENSG00000197142 from MAR03387, and only keep ENSG00000140284;
  • Remove ENSG00000169169 from MAR04457;
  • Remove ENSG00000169169 from MAR04711;
  • Remove ENSG00000135929 from MAR04838;
  • Remove ENSG00000135929 from MAR04839;
  • Remove ENSG00000169169 from MAR06278;
  • Change the GPR of MAR06285 into (ENSG00000161533 or ENSG00000087008) and (ENSG00000113790 or ENSG00000133835) and (ENSG00000060971 or ENSG00000116171);
  • Change the GPR of MAR11539 into (ENSG00000161533 or ENSG00000087008) and (ENSG00000113790 or ENSG00000133835)

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 4, 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 except the GPR for MAR06285 and MAR11539. Those two seems strange to me, please double check.

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@hhl-24 hhl-24 left a comment

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The substrates for peroxisomal β-oxidation primarily include very long-chain fatty acids (VLCFA) (≥C22), long-chain fatty acids, and branched-chain fatty acids (BCFA) . However, the fatty acids involved in MAR06285 and MAR11539 are medium- and short-chain fatty acids, so these reactions should occur in the mitochondria rather than in the peroxisomes.

…dation-and-Glycerolipid_metabolism

# Conflicts:
#	data/testResults/README.md
@edkerk edkerk merged commit ba8a4f3 into develop Dec 17, 2024
5 of 6 checks passed
@edkerk edkerk deleted the Fix-Fatty_acid_oxidation-and-Glycerolipid_metabolism branch December 17, 2024 00:39
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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 2181 61 279 0.86703 0.11429 0.97279 0.17476 0.14981
{'GBM' } 34 2161 63 298 0.85876 0.10241 0.97167 0.15851 0.13034
{'HCT116'} 45 2202 56 310 0.85993 0.12676 0.9752 0.19737 0.18123
{'HELA' } 30 2260 71 253 0.87605 0.10601 0.96954 0.15625 0.1218
{'RPE1' } 15 2201 82 258 0.86698 0.054945 0.96408 0.081081 0.030757
{'all' } 7 2404 94 109 0.92234 0.060345 0.96237 0.064516 0.02427

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

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4 participants