search

chembl / chembl_webservices_2

Source code of the ChEMBL web services.
https://www.ebi.ac.uk/chembl/ws
Other
16 stars 3 forks source link

Add substrate_name and metabolite_name to Metabolism Endpoint #150

Closed nclopezo closed 6 years ago

nclopezo commented 6 years ago

This is the query used in the current interface to get the metabolism data:

https://github.com/chembl/chembl_interface/blob/393cc16a11f17eb156673e9ab1ad734abdce608c/system/application/models/chembl.php#L2628

If I am correct (@agaulton) the metabolism table should have substrate_record_id and metabolite_record_id which should join to compound_records:

https://github.com/chembl/chembl_interface/blob/393cc16a11f17eb156673e9ab1ad734abdce608c/system/application/models/chembl.php#L2652

where
...
 and m2.substrate_record_id = r2.record_id
 and m2.metabolite_record_id = r3.record_id
...

The substrate name should be the compound_key of to the compound record with the corresponding record_id. And the same goes for the metabolite name.

nclopezo commented 6 years ago

This is required to finish https://github.com/chembl/GLaDOS/issues/298

mnowotka commented 6 years ago

Both requested fields are added now, see: https://www.ebi.ac.uk/chembl/api/data/metabolism.json