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