Speedy SMILES Invert Stereochemistry


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. Type: Data Input Table containing a SMILES Column

Output Ports

  1. Type: Data Invert stereoisomers

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