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Speedy SMILES Convert D / T Pseudoatoms to Hydrogen Isotopes

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

This node moves converts the D and T pseudoatoms to 2H and 3H isotopes

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

SMILES

Output Ports

SMILES with D and T replaced with hydrogen isotopes

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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