While our predictions here using neat 1-octanol are in better quantitative agreement with experiment, we believe this is a fortuitous result. The use of water-saturated 1-octanol is a better representation of the physical system of interest. In future SAMPL challenges we will consider the sensitivity of the employed solute force field. Additional studies are also needed to examine the predicted mutual solubility of other common force fields for water and 1-octanol, to allow for the consideration of additional solvent models. ). The predictions are additionally broken down into their electrostatic and Lennard-Jones contributions by using the respective contribution of the solvation free energy. In the last column we provide the experimental values provided by the challenge organizers after the close of the challenge. The subscript corresponds to the error in the last two decimal places. ). The predictions are additionally broken down into their electrostatic and Lennard-Jones contributions by using the respective contribution of the solvation free energy. The subscript corresponds to the error in the last two decimal places. ) using the TIP3P water model and GAFF for 1-octanol and the solutes, along with the experimental values . The subscript corresponds to the error in the last two decimal places. ) and neat 1-octanol (log 10 P o/w 1 ) for each SAMPL7 molecule, using both the TIP4P and TIP4P/2005 water models. The predictions are additionally broken down into their electrostatic and Lennard-Jones contributions by using the respective contribution of the solvation free energy (see tables ?? and 2). The green dashed line is a horizontal line (y = 0) drawn for reference. S sulfone S ring N SM39 1-octanol water Fig. Local density, ρ (r), of solvent O around the S in the (non-ring) sulfone group, the (sulfone) S in the ring, and the (secondary amine) N in molecule SM36. The top pane is for neat and water-saturated (sat) 1-octanol, and the bottom pane is for water.