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Fix-GPR curation for Linoleate_metabolism and Fatty_acid_elongation_and Beta oxidation #929

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@JHL-452b JHL-452b commented Dec 4, 2024

Main improvements in this PR:

As proposed in #875

  • Remove ENSG00000137869 from MAR02455;
  • Remove ENSG00000108242, ENSG00000137869 from MAR02456;
  • Remove ENSG00000160870, ENSG00000186377, ENSG00000137869 from MAR02457;
  • Remove ENSG00000137869, ENSG00000108242 from MAR02458;
  • Remove ENSG00000164303 from MAR07606;
  • Remove ENSG00000177465, ENSG00000119673, ENSG00000130377 from MAR00249;
  • Remove ENSG00000146066 from MAR02269;
  • Change the GPR of MAR03315 into ENSG00000060971 or ENSG00000116171;
  • Change the GPR of MAR03067 into ENSG00000113790 or ENSG00000133835;
  • Change the GPR of MAR03091 into ENSG00000113790 or ENSG00000133835;
  • Change the GPR of MAR03093 into ENSG00000060971 or ENSG00000116171;
  • Remove ENSG00000161533 from MAR03102;
  • Remove ENSG00000198721 from MAR03058;
  • Remove ENSG00000198721 from MAR03103;
  • Change the GPR of MAR03506 into ENSG00000087008 or ENSG00000168306;
  • Remove MAR03102 and MAR03103 from Human-GEM.

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 1515 dead-end metabolites.
- Found 1320 reactions incapable of sustaining steady-state fluxes in either direction due to these dead-ends.
- Found 1980 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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github-actions bot commented Dec 4, 2024

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' } 38 2162 65 276 0.8658 0.12102 0.97081 0.18225 0.15324
{'GBM' } 34 2143 69 294 0.85709 0.10366 0.96881 0.15777 0.1232
{'HCT116'} 47 2186 60 304 0.85984 0.1339 0.97329 0.20524 0.18438
{'HELA' } 31 2242 76 249 0.8749 0.11071 0.96721 0.16021 0.1216
{'RPE1' } 14 2181 89 256 0.86417 0.051852 0.96079 0.075067 0.019759
{'all' } 6 2381 101 110 0.91878 0.051724 0.95931 0.053812 0.011465

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

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feiranl commented Dec 11, 2024

Please double check the deadend metabolites and try to fix this before merging.

edkerk and others added 7 commits December 17, 2024 01:57
…bolism-and-Fatty_acid_elongation-and-Beta_oxidation

# Conflicts:
#	data/deprecatedIdentifiers/deprecatedReactions.tsv
#	data/testResults/README.md
…bolism-and-Fatty_acid_elongation-and-Beta_oxidation
…longation-and-Beta_oxidation

# Conflicts:
#	data/testResults/README.md
#	data/testResults/gene-essential.csv
#	model/Human-GEM.yml
…longation-and-Beta_oxidation

# Conflicts:
#	data/testResults/README.md
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3 participants