[Rdkit-discuss] "Markush SMARTS" ?

[Alexis P. <ale...@gm...>]

Dear rdkiters,


I am interested to capture in a single SMARTS notation aromatic systems
with several possible substitution positions (ortho, meta, para).

Is there a way using rdkit to covert for example the three structures under
in a SMARTS notation that would match the three structures when I do a
substructure search?


[image: Inline images 1]


Is there such a thing as a “Markush SMARTS”?



Many thanks and regards,

Alexis