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Is there a way to get all the SMILES for an assay?

Open miguelroboso opened this issue 7 years ago • 0 comments

Right now I am downloading the smiles one by one, from a compound ID with

mycp = pcp.Compound.from_cid(myCid) canSmiles = mycp.canonical_smiles

After a while, however, I get

urllib2.URLError: <urlopen error [Errno 110] Connection timed out>

And I suspect that pubchem gets (rightfully) upset and blacklists me for a while.

Is there any other way to get all the smiles for an assay?

miguelroboso avatar May 16 '17 16:05 miguelroboso