自组织神经树用于芬太尼衍生物构效关系的研究

Journal of Applied Sciences ›› 1997, Vol. 15 ›› Issue (2): 217-222.

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SELF-ORGANIZATION NEURAL TREE APPLIED TO STRUCTURE-ACTIVITY RELATIONSHIP OF FENTANYL DERIVATIVES

LU WENCONG¹, FANG JIANHUI¹, DING YIMING¹, YAN LICHENG¹, CHEN NIANYI²

1. Shanghai University, Jiading Compus, Shanghai 201800;
2. Shanghai Institute of Metallurgy, Chinese Academy of Sciences, Shanghai 200050

Received:1995-06-30 Revised:1996-05-11 Online:1997-06-30 Published:1997-06-30

Abstract

Abstract: In this paper, the non-linear relationship between the characteristic parameters and analgesic activities of a series of fentanyl derivatives is calculated by self-organization neural tree model. The results show that the performance of the self-organization neural tree is good and the successful claasification rate is rather nigh. Therefore, the model might be used ac an effective assistant technique for the investigation of structure-activity relationship of drugs.

Key words: fentanyl derivatives, structure-activity relationship, artificial neural network, self-organization neural tree

LU WENCONG, FANG JIANHUI, DING YIMING, YAN LICHENG, CHEN NIANYI. SELF-ORGANIZATION NEURAL TREE APPLIED TO STRUCTURE-ACTIVITY RELATIONSHIP OF FENTANYL DERIVATIVES[J]. Journal of Applied Sciences, 1997, 15(2): 217-222.

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SELF-ORGANIZATION NEURAL TREE APPLIED TO STRUCTURE-ACTIVITY RELATIONSHIP OF FENTANYL DERIVATIVES

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