سال انتشار: ۱۳۸۹

محل انتشار: همایش منطقه ای یافته های نوین شیمی و مهندسی شیمی

تعداد صفحات: ۱۳

نویسنده(ها):

shahin ahmadi – department of chemistry razi university kermanshah

چکیده:

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.