User a216001020
10-07-2009 10:48:00
Using version 5.2.0 of Standardizer, are smiles produced with the GUI application unique, or canonical ?
Have the behaviour on this issue changed from previous versions?
User a216001020
10-07-2009 10:48:00
Using version 5.2.0 of Standardizer, are smiles produced with the GUI application unique, or canonical ?
Have the behaviour on this issue changed from previous versions?
ChemAxon 2db1f4037e
13-07-2009 09:38:47
Dear jasousa,
The output format of Standardizer GUI when you specify the SMILES file filter in the save dialog will be canonical SMILES.
More specific, export will be done without any parameters mentioned in SMILES Export options. This behaviour is not changed.
Best Regards,
Istvan Cseh