The development of a computation / mathematical model to predict drug absorption across the skin
type: CreativeWork
description: The ability to predict accurately the dermal permeation of a chemical is important for the development of new therapeutic formulations in transdermal drug delivery and also for the assessment of the potential risks of environmental chemicals and agents used in cosmetics industry. There have been a large number of studies investigating skin permeability, both experimentally- and theoretically-based. The experimental measurement of skin permeability is a time-consuming and difficu process and, when put in the context of the great numbers of chemicals that may come into contact with the skin, it is also cosdy. /ls a consequence, there has been a great interest over the past years to 'predict' the ability of a compound to cross the skin using its physicochemical characteristics and a number of mathematical models have been reported. Most models are based on experimental data, with skin permeability linearly correlated to the physicochemical properties and I or molecular structure parameters of the chemical compounds. A mu ilinear regression method is often used to fit available experimental data and such empirical models are referred to as quantitative structure-property relationships (QSPRs). Many QSPR models relate skin permeability to the physicochemical properties of the solutes while others use molecular structure properties. Successful application of such models can realise a marked reduction in the number of potentially therapeutic molecules requiring synthesis and validation since they can be precluded from study on the basis of their predicted lack of skin permeability. In terms of skin permeability data with respect to QSPR analysis, the science has not been developed significanijy since the publication of what is now universally known as the Flynn dataset (Flynn 1990). The most widely cited model that was developed on the basis of the Flynn dataset was the Potts and Guy (1992) model and since then a number of a emative models have been developed using the Fly…
abstract: The ability to predict accurately the dermal permeation of a chemical is important for the development of new therapeutic formulations in transdermal drug delivery and also for the assessment of the potential risks of environmental chemicals and agents used in cosmetics industry. There have been a large number of studies investigating skin permeability, both experimentally- and theoretically-based. The experimental measurement of skin permeability is a time-consuming and difficu process and, when put in the context of the great numbers of chemicals that may come into contact with the skin, it is also cosdy. /ls a consequence, there has been a great interest over the past years to 'predict' the ability of a compound to cross the skin using its physicochemical characteristics and a number of mathematical models have been reported. Most models are based on experimental data, with skin permeability linearly correlated to the physicochemical properties and I or molecular structure parameters of the chemical compounds. A mu ilinear regression method is often used to fit available experimental data and such empirical models are referred to as quantitative structure-property relationships (QSPRs). Many QSPR models relate skin permeability to the physicochemical properties of the solutes while others use molecular structure properties. Successful application of such models can realise a marked reduction in the number of potentially therapeutic molecules requiring synthesis and validation since they can be precluded from study on the basis of their predicted lack of skin permeability. In terms of skin permeability data with respect to QSPR analysis, the science has not been developed significanijy since the publication of what is now universally known as the Flynn dataset (Flynn 1990). The most widely cited model that was developed on the basis of the Flynn dataset was the Potts and Guy (1992) model and since then a number of a emative models have been developed using the Fly…
author: Prapopoulou, Maria
language: eng
date published: 2012-10-1
date modified: 2026-07-24T02:44:42Z
provider: King's College London
publisher: Networked Digital Library of Theses and Dissertations
type: WebPage
source organization: King's College London