@article {253,
	title = {Fractional description of free energies of solvation},
	journal = {Journal of computer-aided molecular design},
	volume = {13},
	year = {1999},
	month = {1999/03//},
	pages = {139 - 152},
	abstract = {A new and rigorous method for the fractional description of solvation and transfer free energies is presented. The method is based on the use of the Miertus-Scrocco-Tomasi self-consistent reaction field method (MST-SCRF), and allows for a rigorous partition of the total solvation free energy into surface elements. The method gives a complete picture of the hydrophobicity/hydrophilicity of molecules. Present results allow us to expect that the method might provide useful information in drug design and molecular modeling studies.},
	keywords = {Benzene Derivatives/chemistry/metabolism; Drug Design; Models, Drug/chemistry/metabolism; Solvents; Structure-Activity Relationship; Thermodynamics, Molecular; Pharmaceutical Preparations/chemistry/metabolism; Receptors},
	author = {F. J. Luque and Barril, Xavier and M. Orozco}
}
