The shortest topological distance between two atoms in a structure was designed according to the widely used breadthfirstsearch algorithm which uses a data structure called Queue.
分子结构中任意两个原子之间最短拓扑距离的求解是建立在采用队列数据结构的宽度优先搜索算法基础上的。
3
A novel Unit Tree-based BreadthFirstSearch (UTBFS) algorithm is proposed.