Quantitative Structure-Activity Relationship for Some Substituted Aromatic Compounds  

作　　者：张育红 于红霞 韩朔睽 赵元慧 王连生 

出　　处：《Chinese Science Bulletin》1994年第13期1092-1095,共4页

基　　金：National Natural Science Foundation of China

摘　　要：In recent years, since thousands of new chemicals have been produced and put into the environment, it is important for us to screen the chemicals which have potential toxicity. So QSAR (quantitative structure-activity relationship) has been widely used.In recent years, since thousands of new chemicals have been produced and put into the environment, it is important for us to screen the chemicals which have potential toxicity. So QSAR (quantitative structure-activity relationship) has been widely used. In this note, the toxicity of sixteen aromatic compounds to green algae (Scenedesmus obliquus) was determined. Considering the toxicity data of Photobacterium phosphoreum previously obtained[1], the relationship between the chemical structure and toxicity was analyzed for the two organisms based on Hansch method. Results show that the toxicity of non-reactive chemicals is well related to n-octanol/water partition coefficient (K(OW)), and non-dispersive force factor (delta1 X(v).

关 键 词：STRUCTURE-ACTIVITY n-octanol/water PARTITION COEFFICIENT non-dispersive force factor correlation equation. 

分 类 号：O625[理学—有机化学]