For each force field, we computed the root mean squared error (RMSE), mean signed error (MSE), the coefficient of determination (R 2 ), Kendall's rank correlation coefficient (τ), and the slope and intercept of the linear regressions of the computed properties against the experimental values. The R 2 values for the subsets of ligand with each are also reported in the bottom right corner in each graph. Comparisons with experiment have 43 measurements, for the 43 unique host-guest complexes listed in Table ; comparisons between force fields have 86 data points, representing the calculations for the two orientations of the guest, "p" and "s", in the binding site (see above). The overall RMSE and R 2 statistics for each comparison are