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Speedy SMILES Clean Isotope Labels

Community NodesVernalisSpeedy SMILESManipulationsStreamable
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This node moves cleans leading zeros from isotope labels. As [0Aa] is not the same as [Aa] (where Aa is any element), if only zeros are present, then last is retained, e.g [001Se] becomes [1Se], [0000H] becomes [0H]

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
    Cleaned
    SMILES with leading isotope 0's cleaned

Extension

The Speedy SMILES Clean Isotope Labels node is part of this extension:

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Related workflows & nodes

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