Modified to use SD file as input, and PAINS strings in SMARTS format from
Rajarshi Guha. "PAINS Substructure Filters as SMARTS. 2010-11-14." http://blog.rguha.net/?p=850. Accessed: 2010-11-14. (Archived by WebCite® at http://www.webcitation.org/5uF4wHEpB)
Get this workflow from the following link: Download
RDKIT-pains consists of the following 23 nodes(s):
RDKIT-pains contains nodes provided by the following 4 plugin(s):
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