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
Hello All,
I have been trying to get the 09901004_Filtering A Hitlist workflow from KNIME
working but cannot set the location of the sieve files containing the pains
data. When I try and configure the node, an error is thrown stating this data
is missing. Since this workflow was downloaded
2 matches
Mail list logo
