In order to further understand the dependence of bioactivities on the structure of new fluorine-containing pesticidal compounds to build up significant ligand-receptor models, and to find out the pharmacophores of these analogues, 3D-QSAR analyses have been carried out with DISCO, CoMFA and Leapfrog approaches on the basis of our previous classical QSAR study. Firstly, the compounds were classified according to their structures. Then each class was analyzed by CoMFA. Based on the results of class I compounds some new structures were designed and the other good QSAR models were used as a basis for the optimization of structures. The bioactivities of the new designed structures were predicted.

Key words: ORGANOFLUORINE INSECTICIDES, PESTICIDES, STRUCTURE ACTIVITY RELATIONSHIP, THREE DIMENSIONAL STRUCTURE, CHEMICAL STRUCTURE