INTRODUCTION Chemometrics is the discipline concerned with the ap-plication of statistical
and mathematical methods, as well as those methods based on mathematical logic, to …

The Kohonen network, an unsupervised learning algorithm in artificial neural networks,
performs self-organizing mapping and reduces dimensions of a complex data set. In this …

Chemists are being confronted with a confounding array of data at an ever increasing pace.
The advent of new experimental techniques, the development of cheaper, faster, and more …

In this paper two applications of artificial neural networks (ANNs) in nuclear spectroscopy
analysis are discussed. In the first application, an ANN assigns quality coefficients to alpha …

Iron, copper, zinc and selenium were determined directly in serum samples from healthy
individuals (n= 33) and cancer patients (n= 27) by total reflection X-ray fluorescence …

A qualitative nondestructive technique for fiber identification was developed using near
infrared (NIR) spectroscopy. A neural network was trained to identify 17 different fiber types …

A simple X-ray powder diffractometric (XRD) method with artificial neural networks (ANNs)
for data modelling was developed to recognize and quantify two crystal modifications of …

The backpropagation algorithm in artificial neural networks was used to forecast dynamic
data of a forest pest population of the pine needle gall midge, Thecodiplosis japonensis …

Combining gas phase infrared (IR) spectra with mass spectral (MS) data, a neural network
has been developed to predict 26 different molecular substructures from multispectral …

A neural network which utilized data from the infrared spectra, carbon-13 NMR spectra, and
molecular formulas of organic compounds was developed. The network, which had one …