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Speedy SMILES Strip Stereochemistry

StreamableVernalis Speedy SMILES extension for KNIME Workbench version 1.18.1.v201812201431 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

Installation

To use this node in KNIME, install Vernalis Speedy SMILES extension for KNIME Workbench from the following update site:

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