Optimization of the implicit exponent in the algorithm corresponding to the corrected three-dimensional valence connectivity index L(q). Application to saturated hydrocarbons

Abstract

In this work one demostrates that the use of the algorithm corresponding to the corrected three-dimensional valence connectivity index [Lambda(q)], used at a value of optimal exponent, produces a maximun value for the correlation index (r) corresponding to the linear regression between the logarithm of the relative retention times of a set of 30 hydrocarbons taken as a model. This particular fact, lead us to consider optimization of the exponent of this topological index or another index of similar structure in any other relation of regression where these indices are implicit.