This node returns the possible stereoisomer count of a SMILES Cell, based on the explicitly defined chiral centres
This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com
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- Speedy SMILES Enumerate Stereoisomers25 %
Row Filter (deprecated)15 %- Sorter10 %
- Statistics10 %
- Speedy SMILES Explicit Chirality Filter8 %
- Speedy SMILES Chiral Centre Count5 %
- Speedy SMILES De-salt3 %
- Speedy SMILES Strip Stereochemistry3 %
- Stereoisomers3 %
- Filter Apply3 %
Row Splitter (deprecated)3 %- Rule-based Row Filter3 %
- OpenBabel3 %
Excel Writer (XLS)3 %- RDKit Interactive Table3 %
- RDKit Optimize Geometry3 %
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