[Rdkit-discuss] Substructure search

[Evgueni K. <eko...@gm...>]

Dear Greg,

I do not quite understand how SubstructMatch function works - what will be
in vector matchVect which is <int, int> vector? is it Atomic matches?
What is the simplest way to find substructures/superstructures/exact match
of query structure in the set of molecules?

Regards,
Evgueni