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RDKit R Group Decomposition

RDKit Nodes for Knime version 3.8.0.v201906261723 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

Installation

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

KNIME 4.0
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Developers

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