OEIsFragment

Attention

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

OEIsFragment(mol: Union[OEGraphMol,OEMol,OEQMol]) -> bool

This function determines whether the given molecule satisfies the structural criteria to be considered a valid fragment for bioisosteric replacement. It returns true if the molecule is a valid fragment and false otherwise.