To mitigate the effect of potential sampling bias in both the dataset size and the structure selection, a combination of the results using various sampling sizes (2000 or 4000 structures) is reported in Table and yielded a MUE of 1.96 logP units. The molecules included when considering 2000 structures were 3, 4, 7, 9, 10, 13, 15, and 16, while for the other eight molecules, a dataset size of 4000 structures was considered. The differences of these molecules indicate that the rotational degrees of freedom present as well as the steric hinderance between the molecule and the explicit solvent affects how certain conformations are more likely to be present in the solvated environment and that a smaller sample size may be more effective.