Fig. 2
Overview of the rescoring methods. IFP Tc denotes Tanimoto coefficient. In the GRIM score Nlig is the number of aligned ligand points, Ncenter the number of aligned centered points, Nprot the number of aligned protein points, SumCl the sum of clique weights over all weights, RMSD the root-mean square deviation of the matched clique and DiffI the difference between the number of interaction points in the query and the reference. ROCS score is based on Tversky coefficient