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RDKit To Molecule

StreamableRDKit Nodes for Knime version 4.0.1.v202006261025 by NIBR

Converts RDKit molecules into string based molecule representations (SDF or Smiles) and appends it to the table.

Options

RDKit Mol Column
The column that contains the RDKit molecules.
New column name
Name of the new column in the output table.
Remove source column
Toggles removal of the input RDKit Mol column in the output table.
Destination format
Select the destination format here.

Input Ports

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Table containing RDKit molecules

Output Ports

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Table with the molecules' converted string representations

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 4.2

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

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Developers

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