Creating robust, reliable, clinically relevant classifiers from spectroscopic data

Biophysics Reviews
R L Somorjai

Abstract

I describe in detail the intimately connected feature extraction and classifier development stages of the data-driven Statistical Classification Strategy (SCS) and compare them with current practice used in MR spectroscopy. We initially created the SCS for the analysis of MR and IR spectra of biofluids and tissues, and subsequently extended it to analyze biomedical data in general. I focus on explaining how to extract discriminatory spectral features and create robust classifiers that can reliably discriminate diseases and disease states. I discuss our approach to identifying features that retain spectral identity and provisionally relate these features, averaged subregions of the spectra, to specific chemical entities ("metabolites"). Particular emphasis is placed on describing the steps required to help create classifiers whose accuracy doesn't deteriorate significantly when presented with new, unknown samples. A simple but powerful extension of the discovered features to detect metabolite-metabolite (feature-feature) interactions is also sketched. I contrast the advantages and disadvantages of using either spectral signatures or explicit metabolite concentrations derived from the spectra as sets of discriminatory features. A...Continue Reading

References

Feb 21, 1988·Journal of Theoretical Biology·P Klein, R L Somorjai
Feb 1, 1995·Magnetic Resonance in Medicine : Official Journal of the Society of Magnetic Resonance in Medicine·R L SomorjaiL Delbridge
Dec 1, 1993·Magnetic Resonance in Medicine : Official Journal of the Society of Magnetic Resonance in Medicine·S W Provencher
May 2, 2002·Proceedings of the National Academy of Sciences of the United States of America·Christophe Ambroise, Geoffrey J McLachlan
Jan 2, 2003·Journal of the National Cancer Institute·Richard SimonLisa M McShane
Mar 11, 2004·Magnetic Resonance Imaging·R BaumgartnerU Himmelreich
Jul 1, 2006·Analytical Chemistry·Aalim M WeljieCarolyn M Slupsky
Jul 17, 2008·Comparative and Functional Genomics·E R Dougherty

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