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uniprot / enzymeportal

The EBI Enzyme Portal
http://www.ebi.ac.uk/enzymeportal/
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Import ChEMBL compounds into mega-map #197

Closed rafael-alcantara closed 10 years ago

rafael-alcantara commented 10 years ago

So far we had used the chembl-target.xml file to retrieve cross references from enzymes (UniProt accessions) to ChEMBL compounds. Now the file does not include UniProt accessions any more, but cross references to other ChEMBL entries (target component, in a different XML file), which have those accessions. Parsing this will be impossible the way it used to be.

We have to devise a way to get those xrefs for our mega-map, be it with XML files or otherwise.

rafael-alcantara commented 10 years ago

Now we parse the chembl-target_component.xml file, which contains UniProt accessions for the targets and the target IDs. These latter are used to retrieve bioactivities from the ChEMBL web service, filter them and store their compound IDs.

Fixed in mega-mapper-1.0.22.