NodeSpeedy SMILES Invert Stereochemistry

Manipulator

This node inverts explicitly defined tetrahedral or allenyl stereocentres. Where '@' or '@@' has been used as shorthand for OH1, OH2, TB1 or TB2, these will also be exchanged

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
    Invert stereoisomers