shahin ahmadi - department of chemistry razi university kermanshah

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.

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