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RDKit R-Group Decomposition (deprecated)

RDKit Nodes for Knime version 4.0.1.v202006261025 by NIBR

Does an R-Group decomposition for an input RDKit Mol column. It is planned to deprecate this node soon, so that it cannot be used in new workflows anymore. It will be replaced by a new one developed based on RDKit functionality that was added in 2018/2019.


RDKit Mol column
The column containing molecules.
A SMARTS describing the core to use.

Input Ports

Data with SMILES or RDKit Molecule column

Output Ports

Table with R groups added

Best Friends (Incoming)

Best Friends (Outgoing)



To use this node in KNIME, install RDKit KNIME JUnit Test from the following update site:

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