Hi everybody,
I have found a problem with Scaffold Rgroup Decomposition when I specify a disconnected Scaffold:
For example, when I use this disconnected Scaffold ("CCCNC.OCCCC") on my set of molecule (InputMols.sdf) I obtain a good Rgroup Scaffold decomposition (Correct_decomposition.jpg).
However, when I use this other disconnected Scaffold ("CCCN.COCCCC") on the same set of input molecule I obtain a wrong Rgroup Scaffold decomposition (Wrong_decomposition.jpg).
For me Indigo has inverted the second part of the disconnected scaffold.
I hope my explanations will be help you to understand the problem.
With best regards.
Médérich.
Médérich Besnard
Ariana Pharma
28, rue du Dr Finlay - 75015 Paris - France
Tel: +33 (0)1 44 37 17 05 - Fax: +33 (0)1 44 37 17 01