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RDKit Canon SMILES

StreamableRDKit Nodes for Knime version 4.0.0.v201912021105 by NIBR

Generates RDKit canonical SMILES for an input RDKit Mol column and appends it to the table.

Options

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

Input Ports

Data with RDKit Mol column

Output Ports

Data with canonical SMILES column

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

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

KNIME 4.1
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Developers

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