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

2. Molecular biology
Wout Bittremieux – Faculty of Science Research Day 2017

3. Proteins
Wout Bittremieux – Faculty of Science Research Day 2017

4. 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

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

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

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

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

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

11. Outlier detection

12. Outlier detection
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13. Outlier detection
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14. Spectrum identification
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15. Spectral library searching
???
peptide
peptide
peptide
peptide
peptide
peptide
peptide
peptide
peptide
Wout Bittremieux – Faculty of Science Research Day 2017

27. 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

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

29. 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

30. Acknowledgments