Topological index X for QSPR study of mercaptan/thioether
Meifang Xu · Journal of Tianjin Normal University · 2010
A topological index X was proposed by studying the topological structural characteristics of more than 40 classes of mercaptan/thioether.The correlation relationships between X and some properties of mercaptan/thioether,such as thermodynamic functions(Hf(g),S(g) and Gf(g)) and boiling point(BP) had been studied by regression analysis,and quantitative structure-property relationship(QSPR) models were built.The results show that the QSPR models had high internal stability and predictive ability.