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

Tuesday, 24 July 2012

Some more ways to access ChEMBL



There's now a BioRuby API for ChEMBL, written by the excellent Mitsuteru Nakao (@32nm on twitter). Bio-chembl is a bioruby plugin built on top of the ChEMBL REST web services - https://github.com/nakao/bio-chembl

Of course, there is also the pychembl project in Python from Marcus Sitzmann of the NCI. - https://github.com/markussitzmann/pychembl

And I've just been reminded of the R ChEMBL package from Rajarshi Guha https://github.com/rajarshi/chemblr 

However, the real mark of success will be when we get a ChEMBL f77 library!

2 comments:

Rajarshi said...

There's also an R package for ChEMBL - https://github.com/rajarshi/chemblr

George Papadatos said...

...and for the "visual" types, there are the KNIME and Pipeline Pilot examples:
http://chembl.blogspot.jp/2012/07/access-to-chembl-web-services-via.html