Genetic algorithm and partial least square (GA-PLS), the kernel PLS (KPLS) and Levenberg-Marquardt artificial neural network (L-M ANN) techniques were used to investigate the correlationbetween retention time (RT) and descriptors for 15 nanoparticle compounds which obtained by thecomprehensive two dimensional gas chromatography system (GC x GC). Application of thedodecanethiol monolayer-protect...

genetic algorithm and partial least square (ga-pls), the kernel pls (kpls) and levenberg-marquardt artificial neural network (l-m ann) techniques were used to investigate the correlationbetween retention time (rt) and descriptors for 15 nanoparticle compounds which obtained by thecomprehensive two dimensional gas chromatography system (gc x gc). application of thedodecanethiol monolayer-protect...

In this study, quantitative structure-retention relationship (QSRR) methodology employed for modeling of the retention times of 16 banned pesticides in nano-liquid chromatography (nano-LC) column. Genetic algorithm-multiple linear regression (GA-MLR) method employed for developing global and consensus QSRR models. The best global GA-MLR model was established by adjusting GA parameters. Three de...

a reliable quantitative structure retention relationship (qsrr) study has been evaluated to predict the retention indices (ris) of a broad spectrum of compounds, namely 118 non-linear, cyclic and heterocyclic terpenoids (both saturated and unsaturated), on an hp-5ms fused silica column. a principal component analysis showed that seven compounds lay outside of the main cluster. after elimination...

an important property that has been extensively studied in quantitative structure activityrelationship (qsar) is the chromatographic retention index. qsar study is suggested for theprediction of retention index of alkanes and alkenes compounds. modeling of the retention indexof alkanes and alkenes compounds as a function of molecular structures was established bydifferent chemometrics methods. ...

In the present work, an artificial neural network (ANN) model was used to study the quantitative structure retention relationship (QSRR) of retention index (RI) of some volatile compounds in natural cocoa and conched chocolate powder. Molecular structural descriptors are selected using genetic algorithm to construct the nonlinear QSRR models, kernel partial least squares PLS (KPLS) and Levenber...

An important property that has been extensively studied in quantitative structure activityrelationship (QSAR) is the chromatographic retention index. QSAR study is suggested for theprediction of retention index of alkanes and alkenes compounds. Modeling of the retention indexof alkanes and alkenes compounds as a function of molecular structures was established bydifferent chemometrics methods. ...