Quantitative Structure-Activity Relationships for Substituted Aromatic Compounds  

作　　者：何艺兵 刘征涛 赵元慧 王连生 

机构地区：[1]Department of Environmental Science' and Engineering, Nanjing University, Nanjing 210008, PRC

出　　处：《Chinese Science Bulletin》1994年第19期1612-1615,共4页

基　　金：Project supported by the National Natural Science Foundation of China.

摘　　要：The use of quantitative structure-activity relationships (QSARs) started with the research into drugs and pesticides. It can be applied to predicting biological activity of new organic compounds from their molecular structure,or from their physicochemical parameters, andto direct synthesis of new drug and pesticide.

关 键 词：STRUCTURE-ACTIVITY energy of highest occupied molecular ORBITAL octanol/water PARTITION coefficient. 

分 类 号：O625[理学—有机化学]