The statistical analysis of the challenge was performed using Python scripts adopted from SAMPL6 and SAMPL7, and deposited in the SAMPL8 GitHub repository. Thus, for SAMPL8 we use statistical metrics as used in previous SAMPL iterations which include RMSE (root mean-squared error), 2 (coefficient of determination), (Kendall Tau correlation coefficient), m (linear regression slope), ME (mean error) and MAE (mean absolute error). Bootstrapping with replacement was used to determine uncertainty in the error metrics as described in the literature . In addition, the RMSE, MAE, and ME of each individual host-guest system (considering all methods) were used to identify and compare the most accurate and least accurate predicted systems.