Chembl

[eduardszoecs]

https://www.ebi.ac.uk/chembl/api/data/docs https://www.ebi.ac.uk/chembl/ws

[Aariq]

Chembl

API docs here:

• https://www.ebi.ac.uk/chembl/api/data/docs
• https://www.ebi.ac.uk/chembl/api/utils/docs

Feasibility

Has a well documented REST API. Has a python client as well, for inspiration

There are probably too many possible requests to implement in webchem (there could easily be a stand-alone chembl package), but maybe there are a few things that aren't covered by other databases that we'd want to implement.

Scope

• converts among common identifiers (smiles, inchikey, inchi)
• converts to and from molfiles
• converts images to molfiles
• produces images from identifiers and molfiles
• bioactivity, assay, and target activity
• target predictions
• cross reference ID translations to other databases

Overlap

• Seems like the database leans more biological than perhaps some other databases already in webchem
• converting from images is certainly not covered, but probably not within scope
• I don't think target activity and predicted targets is already covered.
• overall seems like a good addition.

[Aariq]

Note: the translator functions might be worth it alone as an alternative to CTS which seems less reliable.