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应用科学学报 ›› 1997, Vol. 15 ›› Issue (2): 217-222.

• 论文 • 上一篇    下一篇

自组织神经树用于芬太尼衍生物构效关系的研究

陆文聪1, 方建慧1, 丁益民1, 阎立诚1, 陈念贻2   

  1. 1. 上海大学嘉定校区;
    2. 中国科学院上海冶金研究所
  • 收稿日期:1995-06-30 修回日期:1996-05-11 出版日期:1997-06-30 发布日期:1997-06-30
  • 作者简介:陆文聪:副教授,上海大学嘉定校区化学系,上海 201800

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

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

  1. 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

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摘要： 运用自组织神经树方法研究了芬太尼衍生物的镇痛活性与其结构特征多数间的非线性关系.结果表明,该网络性能良好,识别成功率较高,可望成为药物构效关系研究的有效辅助手段.

关键词: 人工神经网络, 芬太尼衍生物, 构效关系, 自组织神经树

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