摘要
化学分子结构作为化学工作者的基本语言,在化学领域应用广泛。自计算机技术应用于化学领域以来,人们对化学结构在计算机中如何表达以及再现等方面表现出了极大的兴趣。本文综述了几种常见的化学结构计算机描述方法,并简述了这些方法的特点、局限性和应用。
Chemical molecular structure, as one of the basic languages for chemists, has widely application in the Chemical Field. Since computer technology had been applied in the Chemical Field, most chemists have expressed the tremendous interests in how to denote and reconstruct Chemical molecular structure and in other things by computers. This paper reviews a few of the usual computer-oriented approaches of chemical structure representation, and some brief comments on their characteristics, limitations and applications are also given in this paper.
出处
《电脑知识与技术》
2007年第5期837-838,840,共3页
Computer Knowledge and Technology
关键词
分子结构表示
线性码
碎片码
拓扑指数码
连接表
Molecular structure representation
Line notation
Fragment code
Topological index code
Connection table
