高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (2): 216.

• 研究简报 • 上一篇    下一篇

遗传算法与遗传编程的联用

周向东, 李通化, 边防, 钱君律   

  1. 同济大学化学系, 上海 200092
  • 收稿日期:1999-07-21 出版日期:2000-02-24 发布日期:2000-02-24
  • 通讯作者: 李通化(1948年出生),男,教授,主要从事化学计量学研究.
  • 基金资助:

    国家自然科学基金(批准号:29675013)资助

Application of Genetic Programming Coupling with Genetic Algorithm

ZHOU Xiang-Dong, LI Tong-Hua, BIAN Fang, QIAN Jun-Lü   

  1. Department of Chemistry, Tongji University, Shanghai 200092, China
  • Received:1999-07-21 Online:2000-02-24 Published:2000-02-24

关键词: 遗传算法, 遗传编程, 构效关系

Abstract: GA-GPis an algorithm for dealing with all kinds of nonlinear function relationships and fraction relationships, which use GP(Genetic programming) to create new individuals and GA(Genetic algorithm)to optimize them at the same time. In this way we make full advantage of GAand GP. We discuss the application of this algorithm in quantitative structure-activity relationships(QSAR) in the medicinal field. The result shows that GA-GPis better than ANNand mathematical expressions could be obtained. Expressions clearly express and explain QSARof the medicine. All can show GA-GPhas very wide applications in the medicinal field of the molecule design.

Key words: Genetic algorithm, Genetic programming, QSAR

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