As mentioned earlier, the transfer free energies ∆G are the main target property of the Martini parametrization. In this study, octanol-water, hexadecane-water, and chloroform-water transfer free energies were calculated from the respective partition coefficients P from COSMO-RS, using the equation ∆G = -RT ln P Here, R is the universal gas constant and T is the temperature. Computational details regarding the calculation of ∆G are provided in section 2.3.3.