Code for chemical environment and computation of molecular similarity

被引：0

作者：

Yang, JA ^{[1
]}

Xu, L ^{[1
]}

机构：

[1] ACAD SINICA,CHANGCHUN INST APPL CHEM,CHANGCHUN 130022,PEOPLES R CHINA

来源：

CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE | 1997年 / 18卷 / 06期

关键词：

molecular similarity; code for chemical environment; mathematics model;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new code for chemical environment and an empirical mathematical pattern Sa(m) on computation of molecular similarity were suggested. Seven molecules which referred to as the probe compounds and the nearest neighbors of each probe structure were determined by the methods of Sa(m) and Tanimoto, The results show an intuitive notion of chemical similarity.

引用

页码：880 / 882

页数：3

共 10 条

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