Speedy SMILES Strip Stereochemistry

Manipulator

This node strips out explicitly defined stereocentres, defined using '@' or '@@' or the @OH1, @AL2 etc designations

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

Input Ports

  1. Type: Data Input Table containing a SMILES Column

Output Ports

  1. Type: Data SMILES with explicit stereochemistry information removed

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