引用本文:
杨翌秋, 许禄. 化合物结构/性质相关的研究——拓扑指数法(Ⅰ)[J]. 应用化学,
1993, 10(6): 49-52.
Citation: Yang Yiqiu, Xu Lu. NEW TOPOLOGICAL INDEXES FOR STRUCTURE——PROPERTY RELATIONSHIPS AMONG ORGANIC COMPOUNDS(Ⅰ)[J]. Chinese Journal of Applied Chemistry, 1993, 10(6): 49-52.
Citation: Yang Yiqiu, Xu Lu. NEW TOPOLOGICAL INDEXES FOR STRUCTURE——PROPERTY RELATIONSHIPS AMONG ORGANIC COMPOUNDS(Ⅰ)[J]. Chinese Journal of Applied Chemistry, 1993, 10(6): 49-52.
化合物结构/性质相关的研究——拓扑指数法(Ⅰ)
English
NEW TOPOLOGICAL INDEXES FOR STRUCTURE——PROPERTY RELATIONSHIPS AMONG ORGANIC COMPOUNDS(Ⅰ)
Abstract:
In this work, the adjacency matrices of molecules are extended. The extended matrices are defined as EA matrices. Two new topological indexes based on the eigenvalues of the EA matrices are EAΣ and EAmax. EAΣ is the sum of the absolute eigenvalues of the EA matrices, and EAmax is the maximum of the absolute eigenvalues of the EA matrices EAΣ and EAmax are called EA Seriers Indexes(EASI). Research shows that EASI are highly discriminating and well correlated with some physicochemical properties of organic compounds.
-
Key words:
- QSPR
- / topological index
- / molecular structure
-
-
扫一扫看文章
计量
- PDF下载量: 0
- 文章访问数: 841
- HTML全文浏览量: 101
下载:
