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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:
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:
You can find more details in this New_reactions.xlsx.
Proposed changes:
reactions.tsv
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