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Improve annotation of reactions in models #967

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JHL-452b opened this issue Jan 23, 2025 · 0 comments
Open
1 task

Improve annotation of reactions in models #967

JHL-452b opened this issue Jan 23, 2025 · 0 comments

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@JHL-452b
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Current behavior:

As discussed in #728, we had added SMILES to the metabolites in Human-GEM (./data/modelCuration/metabolites_SMILES_Inchi.tsv). The SMILES of these metabolites allow us to compare the same reactions across different databases and Human-GEM.

In this way, I found a total of 1455 matching items that should be included in reactions.tsv. The distribution of these successfully matched items is as follows:

KEGG BiGG MetaNetX Rhea
34 649 605 167

You can find more details in this New_reactions.xlsx.

Proposed changes:

  • Add new annotation for reactions and update the reactions.tsv.
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