---------- Forwarded message --------- From: PRAKASH GOPALSAMY <prakash91s...@gmail.com> Date: Tue 25 Aug, 2020, 12:28 PM Subject: Help to identify the descriptors To: <cdk-u...@lists.sf.net>
Hi Team, I need help to identify the below descriptors. I want to know the corresponding descriptor title for the below descriptors nPyridines - Functional group count descriptor. No of Pyridines ring present in the molecules nThiophenes - Functional group count descriptor. No of thiophene rings present in the compounds PW4 - Topological descriptor / shape descriptor. Path/Walk randic shape indices C-007 - Atom centered type descriptor. Describes the number of methylene groups connected with the highly electonegative atoms nN(CO)2- Functional group count descriptor. Describe the number of imides (including thioimides) group present in the compund. LOC - Topological descriptor . Lopping centric index in the compound. Could please help me get the mapping sheet of the generated descriptors Regards, Prakash Gopalsamy.
_______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
