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Speedy SMILES Heavy Atom Count (HAC)

StreamableVernalis Speedy SMILES extension for KNIME Workbench version 1.12.0.v201708101336 by Vernalis (R&D), UK

This node returns the heavy atom count of a SMILES Cell.

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

Heavy atom counts (HACs)

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

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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