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Speedy SMILES Replace Dummy Atom

Community NodesVernalisSpeedy SMILESManipulationsStreamable
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This node replaces dummy atoms with an alternative supplied element symbol. No validation of the element symbol is carried out beyond removing surrounding '[' and ']' characters, which will be reapplied if the dummy atom is not surround with '[' and ']', and the replacement is not an organic subset atom. An empty string is not a valid replacement

This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com

Node details

Input ports
  1. Type: Table
    SMILES
    SMILES with dummy atoms
Output ports
  1. Type: Table
    SMILES with replaced Dummy Atoms
    SMILES with dummy atoms replaced

Extension

The Speedy SMILES Replace Dummy Atom node is part of this extension:

  1. Go to item

Related workflows & nodes

  1. Go to item
  2. Go to item
  3. Go to item

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