OpenEye tools, including many that were among the top performing submissions. All of our
best submissions used AM1BCC charges and Poisson–Boltzmann solvation. Three
submissions used a single conformer for calculating the hydration free energy and all
performed very well with mean unsigned errors ranging from 0.94 to 1.08 kcal/mol. These
calculations were very fast, only requiring 0.5–2.0 s per molecule. We observed that our two …