高等学校化学学报

高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (2): 219.

• 研究简报 • 上一篇    下一篇

氨基喹啉类化合物结构与抗疟原虫活性的相关分析

齐玉华1, 许禄1, 刘忠英2   

  1. 1. 中国科学院长春应用化学研究所, 长春 130022;
    2. 白求恩医科大学, 长春 130023
  • 收稿日期:1999-07-02 出版日期:2000-02-24 发布日期:2000-02-24
  • 通讯作者: 许　禄(1941年出生),男,研究员,博士生导师,主要从事计算化学研究.
  • 基金资助:

    国家自然科学基金(批准号:29677016)资助

Structure-activity Relationships for Antiplasmodial Activity Among Aminoquinolines

QI Yu-Hua1, XU Lu1, LIU Zhong-Ying2   

  1. 1. Changchun Institute of Applied Chemistry, Academia Sinica, Changchun 130022, China;
    2. Norman Bethune University of Medical Sciences, Changchun 130023, China
  • Received:1999-07-02 Online:2000-02-24 Published:2000-02-24

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被引次数

20

关键词: 扩展的引力指数GQ, 量化参数, 进化算法, 氨基喹啉类化合物构效关系研究

Abstract: The extended gravitational index GQ and quantum-chemical descriptors were calculated for the relationship analysis of aminoquinolines. An evolutionary algorithm was described for variable selection and building QSARmodels. And the quasi-newton neural networks were employed with better results.

Key words: Extended gravitational index, Quantum-chemical descriptors, Aminoquinolines, Evolutionary algorithm, QSAR

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