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Speedy SMILES Convert Hydrogen Isotopes to D / T Pseudoatoms

Community NodesVernalisSpeedy SMILESManipulationsStreamable
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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

Node details

Input ports
  1. Type: Table
    SMILES
    SMILES
Output ports
  1. Type: Table
    SMILES with D / T Pseudoatoms
    SMILES with 2H and 3H replaced with D and T

Extension

The Speedy SMILES Convert Hydrogen Isotopes to D / T Pseudoatoms node is part of this extension:

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Related workflows & nodes

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