Match-communications in mathematical and in computer chemistry
Publication date:
1997-03-01
Pages:
185 -
197
Publisher:
Univ bayreuth, dept mathematics
Author:
Guo, M
Xu, Luo ; Hu, CY ; Yu, SM
Keywords:
isomers, 01 Mathematical Sciences, 08 Information and Computing Sciences, General Mathematics
Abstract:
In this paper, a new highly discriminating topological index EATI(1) is proposed based on the extended adjacency matrix, and, used in structure-property relationship (QSPR) and structure-activity relationship (QSAR) studies. Satisfactory results have been obtained by using EATI(1) to predict the physical and chemical properties and biological activities of some organic compounds.