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Speedy SMILES Strip Stereochemistry

StreamableVernalis Speedy SMILES extension for KNIME Workbench version 1.20.5.v201908130849 by Vernalis (R&D), UK

This node strips out explicitly defined stereocentres, defined using '@' or '@@' or the @OH1, @AL2 etc designations

This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com

Options

Select SMILES column
The SMILES column, containing molecules
Remove input columns
If checked, then the input column is removed

Input Ports

Input Table containing a SMILES Column

Output Ports

SMILES with explicit stereochemistry information removed

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Vernalis KNIME Nodes from the following update site:

KNIME 4.0
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Developers

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