Document type
Journal articles
Document subtype
Full paper
Title
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
Participants in the publication
Michael H Abraham (Author)
Harpreet S Chadha (Author)
Filomena Martins (Author)
Dep. Química e Bioquímica
Robert C Mitchell (Author)
Michael W Bradbury (Author)
Julie A Gratton (Author)
Summary
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.
Date of Submisson/Request
1998-01-19
Date of Acceptance
1998-06-29
Date of Publication
1999-03-26
Institution
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA
Where published
Pesticide Science
Publication Identifiers
ISSN - 0031-613X
Publisher
Wiley
Collection
Based on a paper presented at the meeting ‘Uptake of Agrochemicals and Pharmaceuticals’, organised by AH Cobb, AM Stalker and DJ Livingstone on behalf of the Pesticides Group and the Physicochemical and Biophysical Panel of the SCI and the Strathclyde Institute for Drug Research and held on 9 December 1997 at 14/15 Belgrave Square, London
Number of pages
11
Starting page
78
Last page
88
Document Identifiers
DOI -
https://doi.org/10.1002/(sici)1096-9063(199901)55:1<78::aid-ps853>3.0.co;2-7
URL -
http://dx.doi.org/10.1002/(sici)1096-9063(199901)55:1<78::aid-ps853>3.0.co;2-7
Keywords
LFER
QSAR
Brain penetration
Skin permeation
Solvation
Hydrogen bonding