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Speedy SMILES Explicit Chirality Splitter

StreamableVernalis Speedy SMILES extension for KNIME Workbench version 1.17.3.v201808160901 by Vernalis (R&D), UK

This node removes rows which do not contain explicit 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
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 explicit chiral centres) will be kept, otherwise they will be discarded

Input Ports

Input Table containing a SMILES Column

Output Ports

Only rows with one or more explicit chiral centres
Rows without explicit chiral centres, and optionally missing values in the SMILES column

Best Friends (Incoming)

Update Site

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

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