A QSRR Modeling of Hazardous Psychoactive Designer Drugs Using GA-PlS and L-M ANN
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چکیده
منابع مشابه
QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry
The veterinary drugs residues are also important pollutants found in milk, since veterinary drugs are commonly used in cattle management. Considering the role of milk in human nutrition and its wide consumption throughout the world, it is very important to ensure the milk quality. A quantitative structure–retention relationship (QSRR) was developed using the partial least square (PLS), Kernel P...
متن کاملqsrr models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry
the veterinary drugs residues are also important pollutants found in milk, since veterinary drugs are commonly used in cattle management. considering the role of milk in human nutrition and its wide consumption throughout the world, it is very important to ensure the milk quality. a quantitative structure–retention relationship (qsrr) was developed using the partial least square (pls), kernel p...
متن کاملAn improved structure models to explain retention behavior of atmospheric nanoparticles
The quantitative structure-retention relationship (QSRR) of nanoparticles in roadside atmosphere against the comprehensive two-dimensional gas chromatography which was coupled to high-resolution time-of-flight mass spectrometry was studied. The genetic algorithm (GA) was employed to select the variables that resulted in the best-fitted models. After the variables were selected, the linear multi...
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 کاملscour modeling piles of kambuzia industrial city bridge using hec-ras and artificial neural network
today, scouring is one of the important topics in the river and coastal engineering so that the most destruction in the bridges is occurred due to this phenomenon. whereas the bridges are assumed as the most important connecting structures in the communications roads in the country and their importance is doubled while floodwater, thus exact design and maintenance thereof is very crucial. f...
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ژورنال
عنوان ژورنال: ISRN Chromatography
سال: 2012
ISSN: 2090-8636
DOI: 10.5402/2012/838432