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RDKit Kekulizer

StreamableRDKit Nodes for Knime version 4.0.1.v202006261025 by NIBR

Kekulizes an RDKit Molecule.

Options

RDKit Mol column
The input column with RDKit Molecules.
New column name
The name of the new column, which will contain the calculation results.
Remove source column
Set to true to remove the specified source column from the result table.

Input Ports

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Input table with RDKit Molecules

Output Ports

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Output table with kekulized RDKit Molecules

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

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

KNIME 4.2

A zipped version of the software site can be downloaded here.

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Developers

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