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Speedy SMILES Possible Stereoisomer Count

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

This node returns the possible stereoisomer count of a SMILES Cell, based on the explicitly defined chiral centres

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

Input Ports

Input Table containing a SMILES Column

Output Ports

Count of possible stereoisomers

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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