Based on molecular topological chemical theory,as well as the structural characteristic and the valence connection bonding atom i,we introduced structure information index mE(m=0,1).Combing with electronic structure p...Based on molecular topological chemical theory,as well as the structural characteristic and the valence connection bonding atom i,we introduced structure information index mE(m=0,1).Combing with electronic structure parameter of chlorophenols,the new method with ANN analysis was used to predict the biology-toxicity parameters of chlorophenols.The prediction result was more satisfied than others analysis.展开更多
文摘Based on molecular topological chemical theory,as well as the structural characteristic and the valence connection bonding atom i,we introduced structure information index mE(m=0,1).Combing with electronic structure parameter of chlorophenols,the new method with ANN analysis was used to predict the biology-toxicity parameters of chlorophenols.The prediction result was more satisfied than others analysis.
