Re: [Rdkit-discuss] RDKit workflow in KNIME

[Simon S. <Sim...@cs...>]

Stuart,

The PAINS file is available in the RDKIT Github repository. If that's 
too complicated deal with at this early stage, try some of the workflows 
on myexperiment.org:

http://www.myexperiment.org/workflows/1841.html (embedded file)
or
http://www.myexperiment.org/workflows/4748.html (just in a table)

Simon