quantitative structure -property relationship study on the determination of stability constants of diverse 15-crown-5 ethers complexes

a genetic algorithm based multiple linear regressions GA-MLR method was applied for quantitative structure property relationship QSPR modeling of stability constants for 65 complexes of 1,4,7,10,13 -pentaoxacyclopentadecane ethers 15C5 WITH SODIUM CATION Na+ the best subset of molecular descriptors was selected with genetic algorithm subset selection procedure to a variety of theoretical molecular descriptors calculated by the DRAGON software.

Keywords:

15-crown-5 ethers , stability constant , QSPR , genetic algorithm , applicability domain