ESSESA, AN EXPERT SYSTEM FOR STRUCTURE ELUCIDATION FROM SPECTRAL-ANALYSIS .2. NOVEL ALGORITHM OF PERCEPTION OF THE LINEAR INDEPENDENT SMALLEST SET OF SMALLEST RINGS

被引：16

作者：

HONG, HX

XIN, XQ

机构：

[1] Department of Chemistry, Nanjing University, Nanjing

来源：

ANALYTICA CHIMICA ACTA | 1992年 / 262卷 / 01期

关键词：

EXPERT SYSTEM; SMALLEST SET OF SMALLEST RINGS; STRUCTURE PERCEPTION;

D O I：

10.1016/0003-2670(92)80022-Y

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

Perception of chemical structure is an important process in intelligent systems in chemistry. A novel algorithm of perception of the linear independent smallest set of smallest rings (SSSR) of a chemical structure is described. In this algorithm, a chemical structure is divided into levels and grown into a pseudo tree according to the topological properties of atoms, and the SSSR is percepted out by analysis of the pseudo tree.

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收藏

页码：179 / 191

页数：13

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