This article describes several linear pretreatments based on orthogonal projections. The main differences of these pretreatments lie in the way the information to be removed is identified, using calibration dataset, pure spectra, experimental designs or mathematical models. Removing all the undesired spectral information yields spectra proportional to the net analyte signal, so it is important ...

For achieving the development of a portable, low-cost and in vivo cancer diagnosis instrument, a laser 785 nm miniature Raman spectrometer was used to acquire the Raman spectra for breast cancer detection in this paper. However, because of the low spectral signal-to-noise ratio, it is difficult to achieve high discrimination accuracy by using the miniature Raman spectrometer. Therefore, a patte...

Simultaneous determination of pharmaceutical compounds and accurate quantitative prediction of them are of great interest in the clinical and laboratory-based investigations.This work has focused on a comprehensive comparison of Partial Least-Squares (PLS-1) and Artificial Neural Networks (ANN) as two powerful types of chemometric methods. For this purpose, montelukast (MONT), fexofenadine ...

In this paper a nonparametric neural network (NN) technique for prediction of future values of a signal based on its past history is presented. This approach bypasses modeling, identification, and parameter estimation phases that are required by conventional parametric techniques. A multi-layer feed forward NN is employed. It develops an internal model of the signal through a training operation...

Simultaneous spectrophotometric analysis of a multi-component dosage form of olmesartan, amlodipine and hydrochlorothiazide used for the treatment of hypertension has been carried out using various chemometric methods. Multivariate calibration methods include classical least squares (CLS) executed by net analyte processing (NAP-CLS), orthogonal signal correction (OSC-CLS) and direct orthogonal ...

A new procedure is provided for transferring analyte concentration values from a reference material to production calibrators. This method is robust to calibration curve-fitting errors and can be accomplished using only one instrument and one set of reagents. An easily implemented stochastic approximation algorithm iteratively finds the appropriate analyte level of a standard prepared from a re...