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recetox-xmsannotator: pathway matching #620

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hechth opened this issue Nov 18, 2024 · 0 comments
Open

recetox-xmsannotator: pathway matching #620

hechth opened this issue Nov 18, 2024 · 0 comments

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@hechth
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hechth commented Nov 18, 2024

This tool should wrap the multilevelannotationstep3 from the package.
There are still some things to resolve before we can work on this, but this step is also optional in the workflow.
The input database is currently loaded from the package data - maybe it would make sense to deposit KEGG and HMDB pathway databases (the only which are currently supported AFAIK) as Galaxy reference datasets - maybe @natefoo has an opinion on that?
(The usecase is that this tool uses some databased to improve some identifications - these databases are somewhat "canonical" and we don't know how much sense it makes to have them fully supplied by the user).

Inputs

Output

  • annotation -> tabular
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