Acta Chimica Sinica ›› 2000, Vol. 58 ›› Issue (11): 1409-1412. Previous Articles     Next Articles

Original Articles

一种改进BP网络结构用于化学中的非线性校正

罗明亮;李梦龙   

  1. 四川大学化学学院
  • 发布日期:2000-11-15

Using modified BP neural network for non-linear modeling in chemistry

Luo Mingliang;Li Menglong   

  • Published:2000-11-15

BP neural network's excellence in non-linear modeling is shown with two examples. The first is the non-linear calibration for the relationship between the infrared reflectance rates and contents of protein. The second is QSAR, predicting the physical property of some compounds by using the structural parameters. By employing a new mode of BP neural network, with two hidden layers and direct connections from input to output layer, better results than those of multivariate linear regression and normal BP neural network are achieved.

Key words: QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP

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