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@mnowotka
Created April 23, 2014 11:13
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# first things first:
from chembl_webresource_client import *
assays = AssayResource()
print assays.status()
True
# assays are simple, we can get them by chembl ID:
a = assays.get('CHEMBL1217643')
print a
{u'assayType': u'B', u'chemblId': u'CHEMBL1217643', u'journal': u'Bioorg. Med. Chem. Lett.',
u'assayStrain': u'Unspecified', u'assayOrganism': u'Homo sapiens', u'numBioactivities': 1,
u'assayDescription': u'Inhibition of human hERG'}
# xml is supported:
a = assays.get('CHEMBL1217643', frmt='xml')
print a
'''
<?xml version='1.0' encoding='utf-8'?>\n<assay><assayType>B</assayType>
<chemblId>CHEMBL1217643</chemblId><journal>Bioorg. Med. Chem. Lett.</journal>
<assayStrain>Unspecified</assayStrain><assayOrganism>Homo sapiens</assayOrganism>
<numBioactivities>1</numBioactivities>
<assayDescription>Inhibition of human hERG</assayDescription></assay>'''
# as well as bulk retrieval:
al = assays.get(['CHEMBL1217643', 'CHEMBL1217644'])
print al
[
{u'assayType': u'B', u'chemblId': u'CHEMBL1217643', u'journal': u'Bioorg. Med. Chem. Lett.',
u'assayStrain': u'Unspecified', u'assayOrganism': u'Homo sapiens', u'numBioactivities': 1,
u'assayDescription': u'Inhibition of human hERG'},
{u'assayType': u'B', u'chemblId': u'CHEMBL1217644', u'journal': u'Bioorg. Med. Chem. Lett.',
u'assayStrain': u'Unspecified', u'numBioactivities': 1, u'assayDescription': u'Inhibition of MAOA'
}
]
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