Hello I'd like to know if it was possible to search in RDKIT which would isolate any cycles. I thought the search for chemical moiety "C1" or "C1" and save the file with these molecules. The more complicated now. Is it possible to find fragments containing only the cycle and the cycle?
Basically I have a database with 70,000 molecules and I want to have the cyclic fragments contained in the database. If you have an idea to help me thank you. Cédric ********************************************************************** DISCLAIMER This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. **********************************************************************
------------------------------------------------------------------------------
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss