Studies on ThreeDimensional Quantitative StructureActivity Relationships Between the Structure of Pyrethroid and Their Acute Toxicity
Jiang Yanxun · Jilin Nongye Daxue xuebao · 1999
Comparative molecular fields analysis(CoMFA) has been applied to the studies of the correlation of the pyrethroid and their acute toxicityLD50(rat, P.O.). The comparison of CoMFA results with different lattice spacing and different atom probes was investigated. The relation square of prediction is 0.99, and the standard error of prediction is 0.08. 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.