COMPARISON OF PARAMETERS CURRENTLY USED IN STUDY OF STRUCTURE-ACTIVITY RELATIONSHIPS

The reactivities of a large group of miscellaneous molecules, as measured in four different biological systems, were correlated using the following parameters: octanol-water partition coefficient, polarizability, molar at traction constant, parachor, adjusted parachor, and molecular weight. Three of the systems show a linear dependence upon these parameters and the fourth requires the addition of a squared term. Regression analysis shows that log P (octanol-water) correlates a greater percentage of the biological activity of the 70 compounds than the other parameters studied. Other reasons for the perferred use of log P are also given. © 1969, American Chemical Society. All rights reserved.