摘要
本文以化合物结构的拓扑性质为基本出发点,讨论了一种便于计算机处理的分子簇骼低维度表示法,并用结点环境计量比较法,来实现全结构或子结构的检索。
In the light of the topological characterization of molecular structures a low - dimentional representation for the molecular skeleton of cluster compounds, convenient for treatment by computers , is described, and brought up a new way of structural searching by which the atomic number sums of each element around, each vertex of the skeleton are taken as comparative criteria of searching either for the whole molecule or the fragments.
