Overview of chemometrics

Kenneth J. Schlager; Timothy L. Ruchti

doi:10.1117/12.206020

3 April 1995 Overview of chemometrics

Kenneth J. Schlager, Timothy L. Ruchti

Proceedings Volume 2386, Ultrasensitive Instrumentation for DNA Sequencing and Biochemical Diagnostics; (1995) https://doi.org/10.1117/12.206020
Event: Photonics West '95, 1995, San Jose, CA, United States

Abstract

Chemometrics is a broad field concerned with the application of mathematical and statistical methods to problems in chemistry. Biotronics Technologies has applied chemometrics to demanding chemical applications involving noninvasive medical diagnostic measurement instrumentation using advanced signal processing and calibration techniques. The chemometrics methods have also been extended to quantitative analysis in microbiology. Signal processing transforms data measurements to enhance the extraction of physically significant information. Examples include the Fourier Transform, first and second derivatives, and digital and adaptive filtering. Calibration is the process of relating data measurements to a chemical concentration for the purpose of estimation. Standard methods of calibration include linear regression, multiple-linear regression, partial linear regression, and principal components regression. For more demanding applications, novel techniques involving artificial neural networks, genetic algorithms, and rotated principal components have been developed. This paper summarizes the chemometric experience of Biotronics Technologies including relevant theoretical background.

Citation Download Citation

Kenneth J. Schlager and Timothy L. Ruchti "Overview of chemometrics", Proc. SPIE 2386, Ultrasensitive Instrumentation for DNA Sequencing and Biochemical Diagnostics, (3 April 1995); https://doi.org/10.1117/12.206020

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