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fix-GPR_curation_for_Serotonin and melatonin biosynthesis and Keratan… #907

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JHL-452b
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@JHL-452b JHL-452b commented Nov 6, 2024

… sulfate biosynthesis

Main improvements in this PR:

As proposed in #861 and #863

  • Remove ENSG00000171004, ENSG00000166507, ENSG00000140835, ENSG00000164100, ENSG00000154252, ENSG00000136720, ENSG00000183196, ENSG00000185352, ENSG00000111962, ENSG00000175040, ENSG00000175229, ENSG00000198075, ENSG00000124302 from MAR04549;
  • Remove ENSG00000175711 from MAR07336;
  • Remove ENSG00000175711 from MAR07338;
  • Remove ENSG00000135702 from MAR07339;
  • Remove ENSG00000175711 from MAR07341;
  • Remove ENSG00000135702 from MAR07345;
  • Remove ENSG00000175711 from MAR07347;
  • Remove ENSG00000135702 from MAR07351;
  • Remove ENSG00000135702 from MAR07354;
  • Remove ENSG00000135702 from MAR07357;
  • Remove ENSG00000175711 from MAR07359;
  • Remove ENSG00000135702 from MAR07360;
  • Remove ENSG00000175711 from MAR07362;
  • Remove ENSG00000135702 from MAR07363;
  • Remove ENSG00000175711 from MAR07365;
  • Remove ENSG00000135702 from MAR07366;
  • Remove ENSG00000175711 from MAR07368;
  • Remove ENSG00000175711 from MAR07444;
  • Remove ENSG00000175711 from MAR07446;
  • Remove ENSG00000175711 from MAR07449;
  • Remove ENSG00000175711 from MAR07473;
  • Remove ENSG00000175711 from MAR07475;
  • Remove ENSG00000135702 from MAR07479;
  • Remove ENSG00000175711 from MAR07353;
  • Remove ENSG00000135702 from MAR07342;
  • Remove ENSG00000175711 from MAR07344;
  • Remove ENSG00000135702 from MAR07348;
  • Remove ENSG00000175711 from MAR07350;
  • Remove ENSG00000175711 from MAR07356;
  • Remove ENSG00000135702 from MAR07447;
  • Remove ENSG00000135702 from MAR07476;
  • Remove ENSG00000175711 from MAR07478.

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 Nov 6, 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! Fix the conflict and merge this PR

@edkerk edkerk merged commit 7ebff3f into develop Dec 17, 2024
3 of 6 checks passed
@edkerk edkerk deleted the fix-Serotonin_and_melatonin_biosynthesis-and-Keratan_sulfate_biosynthesis branch December 17, 2024 00:52
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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' } 37 2173 62 277 0.86701 0.11783 0.97226 0.17918 0.15325
{'GBM' } 34 2154 65 295 0.85871 0.10334 0.97071 0.15888 0.1285
{'HCT116'} 46 2196 57 306 0.86065 0.13068 0.9747 0.2022 0.18487
{'HELA' } 31 2253 72 250 0.87644 0.11032 0.96903 0.16146 0.12632
{'RPE1' } 15 2192 84 257 0.86617 0.055147 0.96309 0.080863 0.029147
{'all' } 7 2394 96 109 0.92134 0.060345 0.96145 0.063927 0.023065

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

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3 participants