saezlab / cosmosR

COSMOS (Causal Oriented Search of Multi-Omic Space) is a method that integrates phosphoproteomics, transcriptomics, and metabolomics data sets.
https://saezlab.github.io/cosmosR/
GNU General Public License v3.0
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different Metabolite annotation in the PKN #32

Open jtorrejon81 opened 1 year ago

jtorrejon81 commented 1 year ago

Dear Aurelien, Attila,

Excellent bioinfo tool, congratulations!

I have two questions concerning to the metabolite annotation in the PKN

1/ Looking the full PKN network, I have realized that metabolites IDs with different nomenclature than HMDB have been also included, for example see below: -MetabHMDB0000132_c (HMDB nomenclature) **-Metab__4782_c (PUBCHEM nomenclature) -Metabc226coa_c (KEGG nomenclature) -Metab__pa_hs_c (Unknown nomenclature)**

I am wondering if the different metabolites nomenclature are taking into account when the function "format_COSMOS_res" is applied to rename metabolites or only HMDB?

2/ it is possible to add manually new nodes/interactions in the PKN while keeping the same format, right?

Many thanks for your help Best regards,

adugourd commented 1 month ago

Hi, sorry for delayed answer.

the metab IDs were alwys a bit tricky to set up consistently. We used by default and whenever we could a tranlsation to HMBD IDs. However, the metabolites comes from two ressources that themselves use PUBCHEM CIDs and BIGG IDs respectivelly. Therefore, whenever we couldn'T map a metab name in the network to HMDB (not all chemicals are referenced rthere), we left the ID of the original database in place.

You can add manually new interactions to the network of course :)

By default I would advise to use HMDB as well whenever possible.

Cheers,

Aurelien