高等学校化学学报

高等学校化学学报 ›› 2001, Vol. 22 ›› Issue (2): 212.

• 研究简报 • 上一篇    下一篇

分子中的环识别算法

郝军峰, 许禄   

  1. 中国科学院长春应用化学研究所, 长春 130022
  • 收稿日期:2000-01-12 出版日期:2001-02-24 发布日期:2001-02-24
  • 通讯作者: 许　禄(1941年出生),男,研究员,博士生导师,主要从事化学计量学及专家系统研究.
  • 基金资助:

    国家自然科学基金(批准号:29875029)资助

The Algorithm on Ring Perception of Molecule

HAO Jun-Feng, XU Lu   

  1. Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  • Received:2000-01-12 Online:2001-02-24 Published:2001-02-24

PDF (PC)

被引次数

3

关键词: 基元环, 最小环, 最小的最小环集合

Abstract: It's important to identify ring in the process of structure elucidation. In this paper, all rings and the smallest set of smallest ring(SSSR) of structure are obtained from two-dimensional connection table. The results are satisfactory by using this algorithm in ESESOCexpert system as constraint.

Key words: Fundamental ring, Minimum ring, The smallest set of smallest ring

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