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fix: GPR curation for Transport reactions (2) #952

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merged 3 commits into from
Jan 13, 2025
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JHL-452b
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Main improvements in this PR:

As proposed in #916

  • Remove ENSG00000165449 from MAR05292;
  • Remove ENSG00000100075 from MAR06289;
  • Remove ENSG00000100075 from MAR06296;
  • Remove ENSG00000125454 from MAR06332;
  • Remove ENSG00000125454 from MAR06333;
  • Remove ENSG00000125454 from MAR06334;
  • Remove ENSG00000125454 from MAR06336;
  • Remove ENSG00000125454 from MAR06337;
  • Remove ENSG00000125454 from MAR06339;
  • Remove ENSG00000125454 from MAR06340;
  • Remove ENSG00000125454 from MAR06341;
  • Remove ENSG00000125454 from MAR06342;
  • Remove ENSG00000125454 from MAR06343;
  • Remove ENSG00000125454 from MAR07804;
  • Remove ENSG00000125454 from MAR07810;
  • Remove ENSG00000125454 from MAR07812;
  • Remove ENSG00000125454 from MAR07814;
  • Remove ENSG00000125454 from MAR07818;
  • Remove ENSG00000125454 from MAR07822;
  • Remove ENSG00000125454 from MAR07824;
  • Remove ENSG00000125454 from MAR07826;
  • Remove ENSG00000125454 from MAR07828;
  • Remove ENSG00000125454 from MAR07829;
  • Remove ENSG00000125454 from MAR07830;
  • Remove ENSG00000125454 from MAR07832;
  • Remove ENSG00000125454 from MAR07833;
  • Remove ENSG00000125454 from MAR07834;
  • Remove ENSG00000059804 from MAR08586;
  • Remove ENSG00000117834 from MAR08876;
  • Remove ENSG00000066230, ENSG00000115616, ENSG00000090020 from MAR08925;
  • Remove ENSG00000113396 from MAR08941;
  • Remove ENSG00000196517 from MAR09591;
  • Remove ENSG00000196517 from MAR09592;
  • Remove ENSG00000196517 from MAR09593;
  • Remove ENSG00000196517 from MAR09594;
  • Remove ENSG00000196517 from MAR09595;
  • Remove ENSG00000196517 from MAR09598;
  • Remove ENSG00000196517 from MAR09599;
  • Remove ENSG00000196517 from MAR09600;
  • Remove ENSG00000196517 from MAR09601;

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 1523 dead-end metabolites.
- Found 1328 reactions incapable of sustaining steady-state fluxes in either direction due to these dead-ends.
- Found 1975 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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@hhl-24 hhl-24 left a comment

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LGTM!

@feiranl feiranl merged commit 1c425c9 into develop Jan 13, 2025
4 of 6 checks passed
@feiranl feiranl deleted the Fix-transport_rxns_2 branch January 13, 2025 02:13
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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' } 50 2144 84 271 0.86073 0.15576 0.9623 0.21978 0.17551
{'GBM' } 57 2134 77 280 0.85989 0.16914 0.96517 0.24204 0.20385
{'HCT116'} 71 2176 69 288 0.8629 0.19777 0.96927 0.28457 0.25532
{'HELA' } 35 2216 105 250 0.86378 0.12281 0.95476 0.16471 0.10737
{'RPE1' } 21 2159 113 255 0.85557 0.076087 0.95026 0.10244 0.036689
{'all' } 8 2353 132 113 0.90599 0.066116 0.94688 0.061303 0.012129

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

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3 participants