The current study examined the chronic toxicity of lead (Pb) to three invertebrate species: the cladoceran Ceriodaphnia dubia, the snail Lymnaea stagnalis and the rotifer Philodina rapida. The test media consisted of natural waters from across North America, varying in pertinent water chemistry parameters including dissolved organic carbon (DOC), calcium, pH and total CO(2). Chronic toxicity wa...

the effects of different climatic, soil, geometric, and management factors on soil organic carbon (soc) degradation and sequestration potential was evaluated in the semi-arid zone of mereg watershed, west of iran. two nonparametric methods, viz. classification and regression tree (cart) and feed forward back propagation artificial neural network (ann) were compared with parametric multivariate ...

Histamine H3 receptor subtype has been the target of several recent drug development programs. Quantitative structure-activity relationship (QSAR) methods are used to predict the pharmaceutically relevant properties of drug candidates whenever it is applicable. The aim of this study was to compare the predictive powers of three different QSAR techniques, namely, multiple linear regression (MLR)...

the solvatochromism of fluoresceine and its derivatives was studied in solvents of different hydrogen bond donor (hbd), hydrogen bond acceptor (hba), donor number (dn) and acceptor number (an) by their uv-vis spectra. results showed that position, intensity and shape of absorption bands change with type of solvent. these changes can be rationalized by solvatochromic parameters such as α, β, et ...

Weather forecasting is the application of science and technology to predict the state of the atmosphere for a future time at a given location. It is carried out by collecting quantitative data about the current state of the atmosphere and past and/or present experiences. In this study Adaptive Neuro-Fuzzy Inference System (ANFIS) and Multiple linear regression model were used to analyze metrolo...

ABSTRACT Genetic algorithm (multiparameter linear regression; GA-MLR) and genetic algorithm-artificial neural network (GA-ANN) global models have been used for prediction of the toxicity of phenols to Tetrahymena pyriformis. The data set was divided into 150 molecules for training, 50 molecules for validation, and 50 molecules for prediction sets. A large number of descriptors were calculated a...

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) ...

The experimental methods for the prediction of molecular toxicity are tedious and time-consuming tasks. Thus, the computational approaches could be used to develop alternative methods for toxicity prediction. We have developed a tool for the prediction of molecular toxicity along with the aqueous solubility and permeability of any molecule/metabolite. Using a comprehensive and curated set of to...

In this paper, the quantitative structure activity-relationship (QSAR) of the CCR2b receptor inhibitors was scrutinized. Firstly, the molecular descriptors were calculated using the Dragon package. Then, the stepwise multiple linear regressions (SW-MLR) and the genetic algorithm multiple linear regressions (GA-MLR) variable selection methods were subsequently employed to select and implement th...