Chem. J. Chinese Universities ›› 2001, Vol. 22 ›› Issue (2): 212.

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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

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

CLC Number: 

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