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Speedy SMILES Remove Multicomponent Molecules Filter

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

This node removes rows which contain multi-component molecules

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
Keep missing values
If checked, then rows containing missing values in the SMILES column are kept, otherwise they are removed
Keep Matches
If checked, then matches (i.e. Molecules with only a single component) will be kept, otherwise they will be discarded

Input Ports

Input Table containing a SMILES Column

Output Ports

Only rows with only a single component

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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