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Clean up chemical entity #20

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Tracked by #49
NRayya opened this issue Mar 28, 2024 · 3 comments
Open
4 tasks
Tracked by #49

Clean up chemical entity #20

NRayya opened this issue Mar 28, 2024 · 3 comments
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@NRayya
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NRayya commented Mar 28, 2024

Importing "chemical entity" from CHEBI resulted in importing many irrelevant classes Those classes additionally result in heterogeneity of the class molecular entity as some of its children are strucutre based while the others are role based. We will keep the heterogeneity but we need to:

  • Keep molecular entity and Has role NMR solvent
  • Keep Molecular entity and Has role NMR Reference
  • Keep Isotope atoms provided in chebi_terms.txt
  • Delete all other instances, leaf classes, and childless parents
@NRayya NRayya self-assigned this Mar 28, 2024
@NRayya NRayya added the discussion This issue still needs discussion before resolving label Mar 28, 2024
@NRayya NRayya mentioned this issue Mar 28, 2024
@NRayya
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NRayya commented Mar 28, 2024

I have deprecated the abovementioned terms with the reason "out of scope" and without suggesting alternatives. d6b3c89

@StroemPhi
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To not get these classes from CHEBI we need to modify the import module to not pull them in instead of deprecating the terms in nmrCV.

@NRayya NRayya added approved Decision regarding this issue was already taken during task force meeting and removed discussion This issue still needs discussion before resolving labels Aug 8, 2024
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NRayya commented Aug 14, 2024

related to #29

@NRayya NRayya removed their assignment Aug 14, 2024
@NRayya NRayya changed the title Clean up molecular entity Clean up chemical entity Sep 6, 2024
@NRayya NRayya added this to the Version 2.0 milestone Oct 15, 2024
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