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

S W Dietrich·N D Dreyer·C Hansch·D L Bentley
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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.

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Chemical PhenomenaChemistry, PhysicalEnzyme InhibitorsKineticsStatistics as TopicStructure-Activity RelationshipJournal ArticleResearch Support, U.S. Gov't, Non-P.H.S.Research Support, U.S. Gov't, P.H.S.

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S W Dietrich, N D Dreyer, C Hansch, D L Bentley. 1980. Confidence interval estimators for parameters associated with quantitative structure-activity relationships.. https://doi.org/10.1021/jm00185a010

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