You are here:
STRUCTURE-ACTIVITY RELATIONSHIPS FOR SCREENING ORGANIC CHEMICALS FOR POTENTIAL ECOTOXICITY EFFECTS
Citation:
Veith, G., D. Foe, AND M. Knuth. STRUCTURE-ACTIVITY RELATIONSHIPS FOR SCREENING ORGANIC CHEMICALS FOR POTENTIAL ECOTOXICITY EFFECTS. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/J-85/224 (NTIS PB86118692).
Description:
The paper presents structure-activity relationships (QSAR) for estimating the bioconcentration factor and acute toxicity of some classes of industrial chemicals using only the n-octanol/water partition coefficient (Log P) which is derived from chemical structure. The bioconcentration factor is estimated by the equation: Log BCF = 0.79 Log P - 0.40 r = 0.93 n = 122. The acute toxicity of polar narcotic chemicals to fathead minnows were substantially greater than non-polar narcotics. Although a comprehensive model is not yet discernable, industrial esters and diesters can be estimated by the equation: Log LC50 = -0.535 Log P - 2.75 r = 0.91 n = 29. Guidelines for selecting tests for ecotoxicity assessments are also presented.