Pesticides Research no. 94, 2004

Quantitative Structure-Activity Relationships (QSAR) and Pesticides

Abstract
QSAR modellers mulighed til at vurdere pesticider er undersøgt. Undersøgelsen er baseret på korrelationen mellem eksperimentelle værdier for 409 pesticider (inkl. salte og estere) og skønnede værdier med udvalgte QSAR modeller. De skønnede værdier for fysisk-kemiske egenskaber, adsorption og bioakkumulering var generelt i overensstemmelse med eksperimentelle værdier. De skønnede værdier for økotoksikologisk effekt var generelt overestimerede i forhold til de eksperimentelle, dvs. den sande effektkoncentration var lavere end skønnet for de fleste pesticider. Ved at opdele pesticiderne i forhold til deres toksiske virkningsmekanisme kunne skønnet forbedres for nogle men ikke for andre.

Abstract in Danish

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Version 1.0 November 2004, © Danish Environmental Protection Agency