OEScreen¶

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

bool OEScreen(const OESubSearchScreen &query,
              const OESubSearchScreen &target)

Returns whether an OESubSearchScreen object generated for a target molecule can be matched to the OESubSearchScreen object generated for a query molecule.

Example

Note

All screens provided by OEChem TK are rigorously tested to make sure that they do not eliminate any matches that would succeed when utilizing the more elaborate atom-by-atom substructure search algorithm.