化学结构式的拓扑描述,是化学信息计算机化的手段之一。这里系统地建立了一整套的连接表(三类:紧缩连接表、冗余连接表、和连接方阵),用来进行结构式中原子之间连接关系的拓扑描述,对分子结构进行数值化。同时,阐述了连接表唯一化的方法,并介绍了不同类型连接表之间的转换关系和还原为平面结构式图形的绘图程序。 Topological description of chemical structure, chemical information is one of the means of computerization. A systematic set of connection tables (three types: compact connection tables, redundant connection tables, and connection matrices) are systematically established here to provide a topological description of the connection relationships between atoms in the structure and to numerically structure the molecules. At the same time, the method of uniqueness of the join table is expounded, and the transformation relationship between the different types of join tables and the drawing program restored to the graph of the planar structure are introduced.