Shedding light on complex mass spectrometry proteomics processes through advanced data mining  Wout Bittremieux.

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Presentation transcript:

Shedding light on complex mass spectrometry proteomics processes through advanced data mining  Wout Bittremieux

Molecular biology Wout Bittremieux – Faculty of Science Research Day 2017

Proteins Wout Bittremieux – Faculty of Science Research Day 2017

A protein sequence MGASYLR Methionine Glycine Alanine Serine Tyrosine Leucine Arginine Met Gly Ala Ser Tyr Leu Arg M G A S Y L R MGASYLR Wout Bittremieux – Faculty of Science Research Day 2017

Mass spectrum identification SLEDLDKEMADYFEK Wout Bittremieux – Faculty of Science Research Day 2017

Quality control Wout Bittremieux – Faculty of Science Research Day 2017

Quality control Target: peppermint icicles Result: peppermint … euh ... erm Wout Bittremieux – Faculty of Science Research Day 2017

Do you already use quality control tools? Wout Bittremieux – Faculty of Science Research Day 2017

How important is quality control for … ? Wout Bittremieux – Faculty of Science Research Day 2017

Quality control metrics Wout Bittremieux – Faculty of Science Research Day 2017

Outlier detection

Outlier detection Wout Bittremieux – Faculty of Science Research Day 2017

Outlier detection Wout Bittremieux – Faculty of Science Research Day 2017

Spectrum identification Wout Bittremieux – Faculty of Science Research Day 2017

Spectral library searching ??? peptide peptide peptide peptide peptide peptide peptide peptide peptide Wout Bittremieux – Faculty of Science Research Day 2017

ANN spectral library search Retrieve candidates in logarithmic time Does not depend on precursor mass Tunable precision-performance trade-off Wout Bittremieux – Faculty of Science Research Day 2017

ANN spectral library search Wout Bittremieux – Faculty of Science Research Day 2017

Conclusions Mass spectrometry data is highly complex Advanced data mining techniques to uncover novel biological knowledge Many more opportunities! Wout Bittremieux – Faculty of Science Research Day 2017

Acknowledgments

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