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chembl / GLaDOS

Web Interface for ChEMBL @ EMBL-EBI
https://www.ebi.ac.uk/chembl/
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SDF file for drugs #1143

Closed anne123 closed 4 years ago

anne123 commented 5 years ago

Someone asked me a question last week when I was at the eTRANSAFE meeting about downloading an SDF file of all the ChEMBL drugs. It is possible to do this but there are two issues with the file, I think it is including all the drugs that aren't small molecules in some way as there are lines of $$$$. Also the only identifier in this is the ChEMBL_ID. People who are accessing the data via the interface would find this much more useful if the pref_name was also included as a field in the SDF file.

nclopezo commented 5 years ago

As we discussed, the extra lines bug is fixed already (https://github.com/chembl/GLaDOS/issues/1106). We discussed with @juanfmx2. And the best solution is to include the prefered name in the elasticsearch sdf field (see https://github.com/chembl/GLaDOS-es/issues/34)

juanfmx2 commented 4 years ago

This has been fixed! :) It has both chembl id and pref name now