Applications of scaled rank-sum statistics in herbicide QSAR
Quantitative structure/activity relationships (QSARs) can be delineated by multiple regression analysis based on substituent properties, or by comparative molecular field analysis (CoMFA). In either case, the negative logarithms of the doses required to achieve some particular effect (e.g., pED50) h...
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Main Authors | , , , , |
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Format | Book |
Language | English |
Published |
Washington, DC (USA)
American Chemical Society
1995
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Subjects | |
Online Access | Get more information |
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Summary: | Quantitative structure/activity relationships (QSARs) can be delineated by multiple regression analysis based on substituent properties, or by comparative molecular field analysis (CoMFA). In either case, the negative logarithms of the doses required to achieve some particular effect (e.g., pED50) have generally been used as response variables. In pesticide development, these must ultimately be obtained from tests on intact organisms. Unfortunately, such parametric point-estimates derived from in vivo titration curves may unnecessarily limit the quality of the QSAR obtained. We show here that Scaled Rank Sums (SRS) represent an alternative, non-parametric approach which can provide robust quantitation of pesticidal efficacy suitable for either substituentwise regression analysis or CoMFA |
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Bibliography: | H60 9719743 |
ISBN: | 9780841233218 0841233217 |