where f is one of the features and P are all of the residues of the docking protein. An additional inter-pose feature is calculated via the RMSD between the MCSS of the two poses. Our MCSS requires a substructure that has both matching atom IDs and bond orders. However, halogen atoms are allowed to match any other halogen atoms and rings are constrained to only match other, complete rings. We do not consider the MCSS if the number of heavy atoms in the MCSS is less than half the number of heavy atoms in the smallest ligand.