Dear all,
The source code and compound lists of the benchmarking platform discussed
in J. Cheminf. 5, 26, 2013 (http://www.jcheminf.com/content/5/1/26) are now
available as a separate repository of RDKit on github
(rdkit/benchmarking_platform). The platform is based on RDKit and includes
88 data sets from three public data sources (MUV, DUD and ChEMBL) together
with precalculated training lists (i.e. indices of randomly selected
training molecules) for 5, 10 and 20 training actives.
I hope some of you find this interesting and if you have questions, please
don't hesitate to contact me.
Best regards,
Sereina
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