In 1867, Crambrown supposed that correlation existed between the bioactivity of drugs and features of their chemical structures. Later, in 1900, overton found that the bioactivities of anaesthetic of different chemical structures increased with the enlargement of their partition coefficients of oil-water. After the World War Ⅱ, the research on structure-activity relationship has been developed rapidly. In 1961, Hansch method was applied to the investigation of the analytic relationship between the bioactivities of the growth hormone of the plant and the effect of the substituents of their compounds.