Confidence interval estimators for parameters associated with quantitative structure-activity relationships

Abstract

Use of the "jackknife" as a statistical tool for construction of both point and confidence interval estimators for parameters which are functions of regression coefficients and/or iteratively estimated parameters is described. Examples are presented demonstrating its utility in constructing estimators for log P0 and pi 0 using the parabolic and bilinear quantitative structure-activity relationship (QSAR) models relating nonlinear dependence of activity on hydrophobicity and for log [1/Ki(app)] assuming competitive enzyme inhibition.