How to name substructures of a molecule using SMARTS patterns?
0
0
Entering edit mode
2 days ago

Does a standardized naming convention exist for molecular substructures, similar to how IUPAC assigns systematic names for entire molecules? I have a set of SMARTS patterns and want to assign meaningful names to them for easier grouping and organization. I attempted to use PubChem's substructure search, but it only lists molecules containing the substructures, not their specific names. How should I proceed to name and group these substructures systematically?

Thank you

Substructures Molecules rdkit SMARTS Chemoinformatics • 110 views
ADD COMMENT

Login before adding your answer.

Traffic: 1925 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6