Further to that, additional molecules were not progressed because they would not dissolve in any of the solvents selected for this study. The final list of 23 compounds is shown below (Figure ). Solvent combination selection: By collecting logD measurements of small molecules in biphasic systems with a variety of organic solvents, the aim was to develop an opportunity to evaluate the performance of computational techniques for modeling solvation effects in different solvent environments. We reasoned that a common solute set measured in different solvent pairs will be helpful to understand which solvent systems can be modeled accurately by current computational methods, and which solvents may need more thorough selection to improve the experimental design approach.