Threedimensional quantitative structureactivity relationshipsbetween structure of pyrethroid and their acute toxicity
Xu Lu · 2002
Comparative molecular fields analysis(CoMFA) was applied to the studies of the correlation of the pyrethroid and their acute toxicityDL50 (rat,P.O.).The comparison of CoMFA results with different lattice spacing and different atom probes was investigated.The relation square of prediction is 099,and the standard error of prediction is 008.CoMFA resulted in a quantitative description of the major steric and electrostatic field effects and gave significant new insights to factors governing toxicity.The model was used to predict the acute toxicity of new compounds with satisfactory results.