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Quality control of imbalanced mass spectra from isotopic labeling experiments.

Tianjun LiLong ChenMin Gan
Published in: BMC bioinformatics (2019)
Our results indicate that this framework is a powerful method for the peptide quality assessment. For the feature extraction part, the extracted ion chromatogram (XIC) based features contribute to the peptide quality assessment. To solve the imbalanced data problem, SMOTE brings a much better classification performance. Finally, the XGBoost is capable for the peptide quality control. Overall, our proposed framework provides reliable results for the further proteomics studies.
Keyphrases
  • quality control
  • machine learning
  • deep learning
  • mass spectrometry
  • electronic health record
  • artificial intelligence
  • density functional theory
  • label free