IconRDKit R Group Decomposition0 ×

RDKit Nodes for Knime version 3.4.0.v201807311105 by NIBR

Does an R group decomposition for an input RDKit Mol column.

Options

RDKit Mol column
The column containing molecules
Core SMARTS
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)

Workflows

Update Site

To use this node in KNIME, install RDKit Nodes for Knime from the following update site:

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