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How to name substructures/SMARTS?

Open sumone-compbio opened this issue 1 year ago • 1 comments

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 go about naming and grouping these substructures systematically?

Thank you

sumone-compbio avatar Nov 24 '24 18:11 sumone-compbio