Simplified descriptions of the topological distribution of hydrophilic/hydrophobic characteristics of molecules

Based on the fractional approach previously developed by our group in the f ramework of the Miertus-Scrocco-Tomasi self-consistent reaction field metho d, we explore here the suitability of 'solvation' and 'transfer' dipoles to describe the topological distribution of hydrophilic/hydrophobic propertie s of molecules. Both descriptors provide a simplified but yet accurate repr esentation of the 3D distribution of hydrophilic and hydrophobic areas in m olecules, which can be valuable in structure-activity relationship and mole cular-field alignment studies.