Simultaneous determination of difloxacin and enrofloxacin using two chemometric methods, partial least squares regression (PLS) and direct orthogonal signal correction-partial least squares regression (DOSC-PLS) is described in this paper. The simultaneous determination of these drugs is difficult due to spectral interferences. The calibration graphs were linear in the range of 1-10 μg mL-1 and...

Projection to latent structures or partial least squares (PLS) produces output-supervised decomposition on inputX, while principal component analysis (PCA) produces unsupervised decomposition of inputX. In this paper, the effect of outputYon theX-space decomposition in PLS is analyzed andgeometric properties of the PLS structure are revealed. Several PLS algorithms are compared in a geometric w...

The hyperspectral imaging technology is used to detect early-maturing pear’s effective acidity nondestructively, and effective prediction model is established. 145 pears’ hyperspectral images are obtained in the wavelength range of 400nm-1000nm. Total 145 pears are separated into the calibration set (77 samples) and prediction set (68 samples). Early-maturing pear’s effective acidity partial le...

this paper reports on the use of artificial neural networks (ann) and partial least squareregression (pls) combined with nir spectroscopy (900-1700 nm) to design calibration models for thedetermination of sugar content in sugar beet. in this study a total of 80 samples were used as the calibration set,whereas 40 samples were used for prediction. three pre-processing methods, including multiplic...

Improving the ability to assess potential stroke deficit may aid the selection of patients most likely to benefit from acute stroke therapies. Methods based only on ‘at risk’ volumes or initial neurological condition do predict eventual outcome but not perfectly. Given the close relationship between anatomy and function in the brain, we propose the use of a modified version of partial least squ...

The models were created using the Orthogonal Partial Least Squares (OPLS) method implemented in Simca-P+ 12 (Umetrics). This method was first introduced by Trygg et al., and is basically an extension of the Partial Least Squares (PLS) approach. It combines Orthogonal Signal Correction (OSC, an algorithm often applied in spectroscopic data analysis) with classical PLS regression. Using OPLS, the...

Antitubercular activity of 5-nitrofuran-2-yl Derivatives series were subjected to Quantitative Structure Activity Relationship (QSAR) Analysis with an effort to derive and understand a correlation between the biological activity as response variable and different molecular descriptors as independent variables. QSAR models are built using 40 molecular descriptor dataset. Different statistical re...

Antitubercular activity of Sulfathiazole Derivitives series were subjected to Quantitative Structure Activity Relationship (QSAR) Analysis with an attempt to derive and understand a correlation between the Biologically Activity as dependent variable and various descriptors as independent variables. QSAR models generated using 28 compounds. Several statistical regression expressions were obtaine...