Quantitative structure-toxicity relationship study of some natural and synthetic coumarins using retention parameters
نویسندگان
چکیده
منابع مشابه
Quantitative structure—retention relationship analysis of nanoparticle compounds
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...
متن کاملNovel consensus quantitative structure-retention relationship method in prediction of pesticides retention time in nano-LC
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...
متن کاملQuantitative structure-property relationship study of retention time of some pesticides in gas chromatography.
A quantitative structure-property relationship (QSPR) study based on multiple linear regression (MLR) and artificial neural network (ANN) techniques is carried out to investigate the retention time behavior of some pesticides on the DB-5ms fused-silica column in gas chromatography. Five descriptors selected in the MLR model are: first component WHIM index (E1v), highest eigenvalue n.7 of burden...
متن کاملQuantitative Structure Activity Relationship Analysis of Coumarins as Free Radical Scavengers by Genetic Function Algorithm
The antioxidant properties of coumarin derivatives using the 2,2ˈ -diphenyl-1- picrylhydrazyl (DPPH) radical scavenging assay were investigated by the application of Quantitative Structure Activity Relationship (QSAR) studies. The molecular structures were optimized and submitted for the generation of quantum chemical and molecular descriptors. Genetic Function Algorithm (GFA) was employed in m...
متن کاملquantitative structure—retention relationship analysis of nanoparticle compounds
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...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of the Serbian Chemical Society
سال: 2012
ISSN: 0352-5139,1820-7421
DOI: 10.2298/jsc120716091r