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Speedy SMILES Convert Hydrogen Isotopes to D / T Pseudoatoms

StreamableVernalis Speedy SMILES extension for KNIME Workbench version 1.24.4.qualifier by Vernalis (R&D), UK

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

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 2H and 3H replaced with D and T

Installation

To use this node in KNIME, install Vernalis KNIME Nodes from the following update site:

KNIME 4.1
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Developers

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