Molecular Descriptors of Topology and a Study on Quantitative Structure and Property Relationships
Congyi Zhou, Changming Nie · Bulletin of the Chemical Society of Japan · 2007
Abstract The novel topological descriptor PE was proposed, using a revised distance matrix involving relative bond length as well as equilibrium electronegativity. Along with PE, the quantitative structure–property relationships were included with path number P3. The analyzed models could be applicable to the condensed-type properties of hydrocarbons. Moreover, the models also were applicable to the Kováts retention indexes under different conditions.