Hydrogen bonding part 46: a review of the correlation and prediction of transport properties by an lfer method: physicochemical properties, brain penetration and skin permeability

Abstract

A number of solute descriptors that relate to the ability of a solute to take part in solute-solvent interactions have been identified, quantified and incorporated into a multiple linear regression equation. This general solvation equation can then be used for the correlation and prediction of solute effects in transport processes, that is, processes in which the main step is either the equilibrium transfer, or the rate of transfer, of a solute from one phase to another. Examples discussed include the solubility of gases and vapours in water, various water-solvent partitions, blood-brain distribution, brain perfusion, and skin permeability.