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chembl / chembl_webresource_client

Official Python client for accessing ChEMBL API
https://www.ebi.ac.uk/chembl/api/data/docs
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Metabolism information #70

Closed BartoszBartmanski closed 2 years ago

BartoszBartmanski commented 4 years ago

Is there a way for this client to return metabolism information, as the web interface does? For example, when I search for tacrolimus, I get all the metabolites for the given molecule in a grapth (shown below) and I was wondering whether it would be possible to get at least chembl IDs for the metabolites when using chembl wrc.

image

dafwb commented 2 years ago

Did you find any solution for that?

BartoszBartmanski commented 2 years ago

Unfortunately no

juanfmx2 commented 2 years ago

Hi @BartoszBartmanski, Sorry we missed your question before. There is a 'metabolism' endpoint in the web services. You can use it like this:

https://www.ebi.ac.uk/chembl/api/data/metabolism.json?drug_chembl_id=CHEMBL269732

Please let me know if you have any questions.

eloyfelix commented 2 years ago

you can also use the client:

from chembl_webresource_client.new_client import new_client

metabolism = new_client.metabolism
res = metabolism.filter(drug_chembl_id="CHEMBL269732")