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SOM-based Peptide Prototyping for Mass Spectrometry Peak Intensity Prediction

Scherbart, Alexandra ; Timm, Wiebke ; Böcker, Sebastian ; Nattkemper, Tim W.



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Abstract:
In todays bioinformatics, Mass spectrometry (MS) is the key technique for the identification of proteins. A prediction of spectrum peak intensities from pre computed molecular features would pave the way to better understanding of spectrometry data and improved spectrum evaluation. We propose a neural network architecture of Local Linear Map (LLM)-type based on Self-Organizing Maps (SOMs) for peptide prototyping and learning locally tuned regression functions for peak intensity prediction in MALDI-TOF mass spectra. We obtain results comparable to those obtained by nu-Support Vector Regression and show how the SOM learning architecture provides a basis for peptide feature profiling and visualisation.


Keywords: Peak Intensity Prediction, Self-Organizing Map, Local Linear Map, Maldi-MS
Institution: Faculty of Technology, Research Groups in Informatics
DDC classification: Data processing, computer science, computer systems

Suggested Citation:
Scherbart, Alexandra ; Timm, Wiebke ; Böcker, Sebastian ; Nattkemper, Tim W.  (2007)  SOM-based Peptide Prototyping for Mass Spectrometry Peak Intensity Prediction.


URL: http://biecoll.ub.uni-bielefeld.de/volltexte/2007/150



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