The effect of descriptor database selection on the physicochemical characterization and prediction of water-air, octanol-air and octanol-water partition constants using the solvation parameter model
Colin F. Poole
Topics & Concepts
ChemistryDatabasePartition coefficientSolvationOctanolPolarizabilityPartition (number theory)Molecular descriptorLipophilicityBiological systemQuantitative structure–activity relationshipChromatographyComputer scienceIonStereochemistryOrganic chemistryMoleculeMathematicsCombinatoricsBiologyAnalytical Chemistry and ChromatographyCrystallization and Solubility StudiesChemical and Physical Properties in Aqueous Solutions