qspr modeling of formation constants of diverse pentazadiene complexes using genetic algorithm-multiple linear regression

Quantitative structure–property relationships(qspr) models for the formation constants of 27 complexes of pentazadienes were established. the method is applied to a set of 27 complexes of pentazadiene structures and results are quite good, with lower average deviations than experimental uncertainties. formation constants for complexes of petazadienes with hg2+ ions have been determined at 25 °c in methanol solution. the suitable set of the molecular descriptors was calculated, and the important descriptors were selected by the genetic algorithm-multiple linear regression(ga-mlr).