KNIME workflows updated to the new KNIME 3.0.1, the RDKit repository version of the PAINS filters, and the latest RDKit nodes.
http://www.myexperiment.org/workflows/1841.html multi-core version: http://www.myexperiment.org/workflows/2485.html -- Cheers, Simon ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
