ChEMBL Resources

Resources:
ChEMBL
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SureChEMBL
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ChEMBL-NTD
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

Thursday, 16 December 2010

Links to ChEMBL data from Wikipedia


Everyone's favorite free encyclopedia - wikipedia, has started to get links to ChEMBL added. The links are all sorted out, now we just need a bot to go round and sort everything out for a large set of compounds. So, to give you some idea of how it will look, here are some links to some classics

2 comments:

Egon Willighagen said...

How have the links been made? Based on the InChI, or also on SMILES? How many links can we expect?

Louisa said...

Hi Egon,

At the moment, they have been made manually through DrugBox and ChemBox. However, we will be using the Standard_Inchi as the identifier for the bot to add the majority of the IDs.

We will try and add as many as we can but starting with some of the most well-known compounds/drugs would be a good place. About 2,000...

Thanks,

Louisa