Hi all,
I’m back again with a question about RDKit Canon Smiles node.
I just upgraded KNIME (see Error when running in batch mode - #4 by ipazin ) and I just found that the output string generated from the Canon SMILES node is different from the one generated in the 3.5.1 workflow. Is this even possibile?
Is there some settings that need to be tweaked? Consider I am not a chemist so I can’t tell the difference between these two strings:
3.5.1
Cc1noc(-c2ccc(O[C@H]3CCCC@HC3)cc2)c1NC(=O)OC@Hc1cccs1
3.7.1
Cc1noc(-c2ccc(OC3CCCC(C(=O)O)C3)cc2)c1NC(=O)OC(C)c1cccs1
Thanks.
A