【摘要】 一个化合物分子可由一种以上不同形式的化学结构式来表示的现象，称之为化学结构表示的歧义性。这种歧义性给化学结构的计算机处理带来了困难。结构歧义性产生的主要原因，是有些化合物能够用多种都满足价键理论的结构式来表示和有的歧义结构不能用数学上的图来明确表示。文章中分析了解决歧义结构计算机处理困难的基本原则，介绍了当前最常用的录入所有结构、选择唯一结构和转换成唯一结构等三种常用的歧义结构处理方法以及相应的优缺点。更多还原

【Abstract】 The phenomenon that one compound can be represented by more than one structural diagrams is called ambiguity of chemical structure. Such an ambiguity brings troubles for the computer handling of chemical structures. The main causes of the ambiguity are (1) some molecules can be represented by more than one chemical structures which all obey rules of Valence Bond Theory and (2) certain structures are not mathematically graphs. The basic principles for solving the problems in computer handling of ambiguous structures are analysed in this paper. Three methods used for solving the problems of ambiguous structure handling are introduced, which are multiple acceptation, selection and transformation.更多还原