Wavelength selection is one of the key steps in quantitative spectral analysis, which reduces computation time while also improving prediction accuracy model. In this paper, we propose a wavelength algorithm based on ant colony optimization (ACO), absolute value regression coefficient multiple linear (MLR) model used as basis for evaluating importance wavelengths, and after full MLR modeling in...

Quantitative structure-activity relationship (QSAR) study has been employed for predicting the inhibitory activities of the Hepatitis C virus (HCV) NS5B polymerase inhibitors . A data set consisted of 72 compounds was selected, and then different types of molecular descriptors were calculated. The whole data set was split into a training set (80 % of the dataset) and a test set (20 % of the dat...

The most common starting point for investors when buying a stock is to look at the trend of price changes. In recent years, different models have been used to predict stock prices by researchers, and since artificial intelligence techniques, including neural networks, genetic algorithms and fuzzy logic, have achieved successful re-sults in solving complex problems; in this regard, more exploita...

Quantitative Structure-Property Relationship (QSPR) models for modeling and predicting thermodynamic properties such as the enthalpy of vaporization at standard condition (ΔH˚vap kJ mol-1) and normal temperature of boiling points (T˚bp K) of 57 mono and Polycyclic Aromatic Hydrocarbons (PAHs) have been investigated. The PAHs were randomly separated into 2 groups: training and test sets. A set o...

In this study, a combined electro-(Fenton/coagulation/flotation) (EF/EC/El) process was studied via degradation of Disperse Orange 25 (DO25) organic dye as a case study. Influences of seven operational parameters on the dye removal efficiency (DR%) were measured: initial pH of the solution (pH0), applied voltage between the anode and cathode (V), initial ferrous ion concentration (CFe), initial...

     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 ...