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Presentation
A Proposed Statistical Protocol for the Analysis of Metabolic Toxicological Data Derived from NMR Spectroscopy
Proceedings of the 7th IEEE International Conference on Bioinformatics and Bioengineering
  • Benjamin J. Kelly, Wright State University - Main Campus
  • Paul E. Anderson, Wright State University - Main Campus
  • Nicholas V. Reo, Wright State University - Main Campus
  • Nicholas J. DelRaso
  • Travis E. Doom, Wright State University - Main Campus
  • Michael L. Raymer, Wright State University - Main Campus
Document Type
Conference Proceeding
Publication Date
10-1-2007
Abstract
Nuclear magnetic resonance (NMR) spectroscopy is a non-invasive method of acquiring a metabolic profile from biofluids. This metabolic information may provide keys to the early detection of exposure to a toxin. A typical NMR toxicology data set has low sample size and high dimensionality. Thus, traditional pattern recognition techniques are not always feasible. In this paper, we evaluate several common alternatives for isolating these biomarkers. The fold test, unpaired t-test, and paired t-test were performed on an NMR-derived toxicological data set and results were compared. The paired t-test method was preferred, due to its ability to attribute statistical significance, to take into consideration consistency of a single subject over a time course, and to mitigate the low sample, high dimensionality problem. We then grouped the resulting statistically salient potential biomarkers based on their significance patterns and compared results to several known metabolites affected by the tested toxin. Based on these results, we present a statistical protocol of sequential t-tests and clustering techniques for identifying putative biomarkers. We then present the results of this protocol applied to a specific real world toxicological data set.
Comments

Presented at the 7th IEEE International Conference on Bioinformatics and Bioengineering, Boston, MA, October 14-17, 2007.

Posted with permission from IEEE.

Citation Information
Benjamin J. Kelly, Paul E. Anderson, Nicholas V. Reo, Nicholas J. DelRaso, et al.. "A Proposed Statistical Protocol for the Analysis of Metabolic Toxicological Data Derived from NMR Spectroscopy" Proceedings of the 7th IEEE International Conference on Bioinformatics and Bioengineering (2007) p. 1414 - 1418 ISSN: 9781424415090
Available at: http://works.bepress.com/travis_doom/11/