There are several examples of CSMs for which their targets were ranked at high positions with one score while other scores failed. We identified nine CSMs (three thereof being macrocyclic compounds) for which their targets were assigned ranks of ten or better by at least one score, while other score(s) assigned ranks of 450 or worse (Table ). In seven out of the nine cases, the TanimotoCombo score performed well while others failed (Figure ); in two cases the ShapeTanimoto score outperformed the other scores (Figure ).