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Speedy SMILES Clean '.' non-bonds

Community NodesVernalisSpeedy SMILESManipulationsStreamable
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This node moves cleans leading and trailing '.' non-bond characters, and treating multiple contiguous '.' characters as a single '.', e.g. '.C..C#N.' will become 'C.C#N'. These alternative are accepted by some parsers but not others, when in a 'relaxed' mode

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 '.' non-bonds cleaned

Extension

The Speedy SMILES Clean '.' non-bonds 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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