rdkit-blog/posts/2022-04-05-searching-with-generic-groups

[utterances-bot]

RDKit blog - Searching with generic groups

Using generics to get more specific

https://greglandrum.github.io/rdkit-blog/posts/2022-04-05-searching-with-generic-groups.html

[paulsonak]

Can you explain the use of semicolons in the query sqry = Chem.MolFromSmiles('*C1=NC2=C(N1)C=CC=C2 |$AHC;;;;;;;;;$|')? I can only find references to a single semicolon being a low-precedence AND in SMARTS but I don't understand the multiple semicolons. They are also used here. Thanks!

[greglandrum]

Hi @paulsonak, those semicolons are part of the CXSMARTS extension (the parts of the input between the | characters). It's documented here: https://docs.chemaxon.com/display/docs/formats_chemaxon-extended-smiles-and-smarts-cxsmiles-and-cxsmarts.md

[paulsonak]

That documentation is very helpful, thank you!