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...

QSPR study on benzene derivatives have been made using recently introduced topological methodology. In this study the relationship between the Randic' (x'), Balaban (J), Szeged (Sz),Harary (H), Wiener (W), HyperWiener and Wiener Polarity (WP) to the thermal energy (Eth), heat capacity (CV) and entropy (S) of benzene derivatives is represented. Physicochemical properties are taken from the quant...

simulation of groundwater fluctuations plays a crucial role in management of watersheds and water demand balancing. recently, wavelet analysis has been used widely in time series decomposition and coupling with neural networks for hydrological modeling. in this paper, the ability of the wavelet-dynamic artificial neural networks (w-ann) model was applied in forecasting one-month-ahead of ground...

The purpose of this work is to promote and facilitate forensic profiling and chemical analysis of illicit drug samples in order to determine their origin, methods of production and transfer through the country. The article is based on the gas chromatography analysis of heroin samples seized from three different locations in Serbia. Chemometric approach with appropriate statistical tools (multip...

background: municipal solid waste (msw) is the natural result of human activities. msw generation modeling is of prime im­portance in designing and programming municipal solid waste management system. this study tests the short-term pre­diction of waste generation by artificial neural network (ann) and principal component-regression analysis. methods: two forecasting techniques are presented in...

Evaporation is an essential component of hydrological cycle. Several meteorologicalfactors play role in the amount of pan evaporation. These factors are often related to eachother. In this study, a multiple linear regression (MLR) in conjunction with PrincipalComponent Analysis (PCA) was used for modeling of pan evaporation. After thestandardization of the variables, independent components were...

in this work the electrooxidation half-wave potentials of some benzoxazines were predicted from their structural molecular descriptors by using quantitative structure-property relationship (qsar) approaches. the dataset consist the half-wave potential of 40 benzoxazine derivatives which were obtained by dc-polarography. descriptors which were selected by stepwise multiple selection procedure ar...

A quantitative structure-activity relationship (QSAR) study was conducted for the prediction of inhibitory activity of 1-phenyl[2H]-tetrahydro-triazine-3-one analogues as inhibitors of 5-Lipoxygenase. The inhibitory activities of the 1-phenyl[2H]-tetrahydro-triazine-3-one analogues modeled as a function of molecular structures using chemometrics methods such as multiple linear regression (MLR) ...