The CIP system is bad and you should use it with peril.

ChemAxon has some bad bugs in their implementation where the labels change
on atom ordering! RDKit uses an algorithm for CCG that can not fully
replicate correct labels.

For a comparison of more tools, see page 219 (labelled as 194) -
http://www.ebi.ac.uk/sites/ebi.ac.uk/files/shared/documents/phdtheses/jmay-thesis-corrected.pdf
------------------------------------------------------------------------------
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to