摘要
从距离矩阵和原子的支化度出发,提出了一种新的拓扑指数,计算结果表明,它具有良好的结构选择性和性质相关性.
On the basis of distance matrix and branch vertex of atoms in a molecule, a new topological index has been developed for research on thirteen physical and chemical properties of alkanes. A general empirical equation is proposed as follows: P = A + BZ1. Regression analyses have given the calculated results. It is concluded that the index bears good structure selectivity and property relativity, when the results from index were compared with those of other approaches. Furthermore, the index is easy to be calculated.topological index, alkanes, QSPR
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1999年第1期12-16,共5页
Acta Chimica Sinica
