NodeSpeedy 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. Port Type: Data
    Input Table containing a SMILES Column

Output Ports

  1. Port Type: Data
    SMILES with explicit stereochemistry information removed