Metabolite Differentiation and Discovery Lab (MeDDL): A New Tool for Biomarker Discovery and Mass Spectral Visualization

Abstract

The goal of this work was to design and implement a prototype software tool for the visualization and analysis of small molecule metabolite GC-MS and LC-MS data for biomarker discovery. The key features of the Metabolite Differentiation and Discovery Lab (MeDDL) software platform include support for the manipulation of large data sets, tools to provide a multifaceted view of the individual experimental results, and a software architecture amenable to modification and addition of new algorithms and software components. The MeDDL tool, through its emphasis on visualization, provides unique opportunities by combining the following: easy use of both GC-MS and LC-MS data; use of both manufacturer specific data.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 2010
Accession Number
ADA540318

Entities

People

  • Claude C. Grigsby
  • David R. Cool
  • Louis A. Tamburino
  • Mateen M. Rizki
  • Pavel A. Shiyanov
  • Rhonda L. Pitsch

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • C4I
  • Human Systems

DTIC Thesaurus Topics

  • Air Force Research Laboratories
  • Algorithms
  • Analytical Chemistry
  • Chemistry
  • Computer Programs
  • Data Analysis
  • Data Sets
  • Information Science
  • Laboratory Animals
  • Liquid Chromatography
  • Mass Spectrometry
  • Metabolites
  • Small Molecules
  • Software Design
  • Spectra
  • Statistical Analysis
  • Visualizations

Fields of Study

  • Computer science

Readers

  • Analytical Chemistry
  • Enterprise Information Systems Architecture and Joint Command Capability Interoperability Support.
  • Molecular Biology and Genetics