Artificial neural network analysis for evaluation of peptide MS/MS spectra in proteomics

Anal Chem. 2004 Mar 15;76(6):1726-32. doi: 10.1021/ac030297u.

Abstract

The aim of the work was to explore usefulness of artificial neural network (ANN) analysis for the evaluation of proteomics data. The analysis was applied to the data generated by the widely used protein identification program Sequest, completed with several structural parameters readily calculated from peptide molecular formulas. Proteins from yeast cells were identified based on the MS/MS spectra of peptides. The constructed ANN was demonstrated to classify automatically as either "good" or "bad" the peptide MS/MS spectra otherwise classified manually. An appropriately trained ANN proves to be a high-throughput tool facilitating examination of Sequest's results. ANNs are recommended as a means of automatic processing of large amounts of MS/MS data, which normally must be considered in the analysis of complex mixtures of proteins in proteomics.

Publication types

  • Evaluation Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Artificial Intelligence
  • Mass Spectrometry / methods
  • Mass Spectrometry / standards
  • Neural Networks, Computer*
  • Peptides / analysis*
  • Proteins / analysis
  • Proteomics / methods*
  • Reproducibility of Results
  • Saccharomyces cerevisiae / chemistry
  • Saccharomyces cerevisiae / growth & development
  • Saccharomyces cerevisiae Proteins / analysis*
  • Sequence Analysis, Protein / methods
  • Sequence Analysis, Protein / standards
  • Software Validation
  • Time Factors

Substances

  • Peptides
  • Proteins
  • Saccharomyces cerevisiae Proteins