Fig. 3.

Computed solvation free energy in water (blue circles) and in cyclohexane (red triangles) for neutral compounds selected from the Minnesota Solvation Database [32] according to models A (A), B (B), and C (C). Model D is not shown since only neutral species are plotted, meaning that model D is equivalent to model B. The grey dashed line assumes a perfect correlation and the yellow shaded interval corresponds to an error of 1 $\text{kcal}·{\text{mol}}^{-1}$