Category: Structure-Activity Relationships

Structure-Activity Relationships Mark Jason 

The Role of Structure-Activity Relationships and Expert Systems

In vitro human skin permeability coefficient data collected by Flynn (1990) have been analysed using multiple regression analysis. An improved model for the prediction of permeability coefficients has been derived by the inclusion of the melting point as an independent variable in addition to the octanol-water partition coefficient (as logP) and molecular volume. (The solubility […]