Speedy SMILES Dummy Atom Isotope to Atom Class Label

This node moves dummy atom isotope labels to atom classes. Where an atom class is already present, the atom is left unchanged. e.g. [3*] is converted to [*:3], but [3*:1] is left unchanged.

This node was developed by Vernalis Research . For feedback and more information, please contact [e-mail]

Input ports

1. Type: Table
   SMILES
   SMILES dummy atoms labelled by isotope

Output ports

1. Type: Table
   SMILES with Atom Class Labels
   SMILES dummy atoms labelled by atom class