高等学校化学学报 ›› 1996, Vol. 17 ›› Issue (8): 1280.

• 论文 • 上一篇    下一篇

自组织神经树用于3-甲基芬太尼衍生物构效关系的研究

方建慧1, 陆文聪1, 丁益民1, 阎立诚1, 陈念贻2   

  1. 1. 上海大学化学系, 上海 201800;
    2. 中科院上海冶金研究所
  • 收稿日期:1995-07-05 出版日期:1996-08-24 发布日期:1996-08-24
  • 通讯作者: 方建慧,男,30岁,硕士,讲师.
  • 作者简介:方建慧,男,30岁,硕士,讲师.
  • 基金资助:

    国家自然科学基金

Self-organization Neural Tree Applied to Structure-activity Relationship of 3-Methylfentanyl Derivatives

FANG Jian-Hui1, LU Wen-Cong1, DING Yi-Min1, YAN Li-Cheng1, CHEN Nian-Yi2   

  1. 1. Department of Chemistry, Shanghai University, Shanghai 201800;
    2. Shanghai Institute of Metallurgy, Chinese Academy of Sciences
  • Received:1995-07-05 Online:1996-08-24 Published:1996-08-24

摘要: 用自组织神经树方法研究3-甲基芬太尼衍生物的镇痛活性与其结构特征参数间的非线性关系,结果表明:该网络性能良好、识别成功率高,可望成为药物构效关系研究的有效辅助手段。

关键词: 3-甲基芬太尼衍生物, 构效关系, 人工神经网络, 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 3-methylfentanyl derivatives was calculated by self-organization neural tree model.The results show that the performance of the self-organization neural tree is quite good and the successful classification rate is high.Therefore,we can expect that this model might be used as an effective assistant technique for the investigation of structure-activity relationship of drugs.

Key words: 3-Methylfentanyl derivatives, Structure-activity relationship, Artificial neural network, Self-organization neural tree

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