SAR/QSAR study of fluorine - Containing pesticides I. Analysis by classical QSAR methods

In order to better understand the dependence of bioactivities on the struct ures of the fluorine - containing new pesticidal compounds and to build up significant structure - bioactivity models, the relationships between the s tructures and two different kinds of bioactivities of 33 fluorine - contain ing compounds have been investigated by classical QSAR methods. The obtaine d bioactive model for cucumber disease has a good capability for the explan ation and prediction. Based on this model some new active structures were d esigned. However, no significant model was obtained for the bioactive data of water-melon disease. This work resulted in a typical QSAR studying schem e in which the cluster analysis is applied, followed by the multivariate st atistical methods for a deeper investigation.