有关农药分子整体结构的新型定量构效关系

A NOVEL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP CORRESPONDING TO THE WHOLE STRUCTURES OF PESTICIDE MOLECULES

A novel quantitaive structure-activity relationship corresponding to the whole structures of pesticide molecules is presented, in this short report, as an extension of Hansch and Fujita' physicochemical parameter method. In the novel relationship, the theoretical data obtained from quantum chemical calculations are adopted instead of all the experimental parameters. The basic idea of the novel relationship is described in the present report, and its concrete applications will be reportrd in subsequent papers.