Future research will aim to develop more generalizable molecular representations using quantum mechanical descriptors to better understand aqueous solubility.Mapping quantum mechanical properties will not only produce higher-quality data but also enable more efficient pathways for correlating molecular structures with their properties. We plan to calculate non-degenerate chemical metrics such as electrostatic potential (ESP) maps, HOMO-LUMO gaps, and dipole moments as partitioning parameters, as these metrics can improve the identification of functional groups that enhance aqueous solubility, thereby narrowing the search for molecules with desired solubility characteristics.