Prediction for the biology-toxicity of chlorophenols with QSAR-ANN
Jinsheng Xu · Chemical Research and Application · 2009
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.