in this work some quantitative structure activity relationship models were developed for prediction of three bioenvironmental parameters of 28 volatile organic compounds, which are used in assessing the behavior of pollutants in soil. these parameters are; half-life, non dimensional effective degradation rate constant and effective péclet number in two type of soil. the most effective descripto...

High-dimensional sparse linear regression is a basic problem in machine learning and statistics. Consider a linear model y = Xθ + w, where y ∈ R is the vector of observations, X ∈ R is the covariate matrix with ith row representing the covariates for the ith observation, and w ∈ R is an unknown noise vector. In many applications, the linear regression model is high-dimensional in nature, meanin...

A comparative workflow, including linear and non-linear QSAR models, was carried out to evaluate the predictive accuracy of models and predict the inhibition activity of a series of aryl-substituted isobenzofuran-1(3H)-ones. The data set consisted of 34 compounds was classified into the training and test sets, randomly. Molecular descriptors were selected using the genetic algorithm (GA) as a f...