chembl / chembl_webservices_2

Source code of the ChEMBL web services.
https://www.ebi.ac.uk/chembl/ws
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Add filter on assay_parameters #161

Open mpaulam opened 6 years ago

mpaulam commented 6 years ago

This is related to this ticket:

https://helpdesk.ebi.ac.uk/Ticket/Display.html?id=285515

Greetings,

I have written a python script utilizing your web resource client:

https://github.com/chembl/chembl_webresource_client

My goal is to put together automatically training sets for machine learning models. So far I could retrieve through the API all the information I need apart from the "Assay Parameters" as shown in the following web page:

https://www.ebi.ac.uk/chembl/assay/inspect/CHEMBL3885742

In this assay, the protein is a mutant (look at the value of "protein_mutation_type" parameter) and hence the whole assay data must be removed from the training set. Is there any way to retrieve this information through the ChEMBL API?

I thank you in advance.