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用比较分子力场分析（ＣｏＭＦＡ）研究了拟除虫菊酯类农药的结构与急性毒性ＬＤ５０（大鼠，口服）的关系，考察了网格结构和探针原子对结果的影响。得到模型的Ｒ２为０．９９，标准偏差为０．０８。说明，立体效应和静电作用场是描述拟除虫菊酯类农药急性毒性和进行结构活性关系研究的重要结构参数，建立的三维定量构效关系模型可以对该类新化合物的ＬＤ５０进行预测。
Comparative molecular field analysis (CoMFA) was used to study the relationship between pyrethroid pesticide structure and acute toxicity LD50 (rat, oral) and the influence of the lattice structure and probe atoms on the results. The R2 of the model was 0.99 and the standard deviation was 0.08. It is concluded that the stereoscopic effect and the electrostatic field are important structural parameters describing the relationship between acute toxicity and structural activity of pyrethroid pesticides. The established three-dimensional quantitative structure-activity relationship model can predict the LD50 of these new compounds.