Speedy SMILES Convert D / T Pseudoatoms to Hydrogen Isotopes

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

Icon
SMILES

Output Ports

Icon
SMILES with D and T replaced with hydrogen isotopes

Views

This node has no views

Workflows

  • No workflows found

Further Links

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.