Method of Topological Indices in Quantitative Study of Structure Property/Activity Relationships
Lu Xu, Fei Zhong · Chinese Journal of Applied Chemistry · 1997
The aN-index based on the quantum theory performs well but it can only be used for saturated hydrocarbons. An extended aN-index called the general aN-index has been developed and a new scheme for its calculation is adapted to obtain a set of parameters of orbital interactions. The general aN-index can be used for almost all kinds of organic compounds including those containing heteroatoms and multiple bonds. The procedure for computing the general aN-index is described and some examples of applications of the general aN-index are given in the paper.