Abstract
Mass spectrometry (MS) is a key technique for the analysis and identification of proteins. A prediction of spectrum peak intensities from pre computed molecular features would pave the way to a better understanding of spectrometry data and improved spectrum evaluation. The goal is to model the relationship between peptides and peptide peak heights in MALDI-TOF mass spectra, only using the peptide’s sequence information and the chemical properties. To cope with this high dimensional data, we propose a regression based combination of feature weightings and a linear predictor to focus on relevant features. This offers simpler models, scalability, and better generalization. We show that the overall performance utilizing the estimation of feature relevance and re-training compared to using the entire feature space can be improved.
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Scherbart, A., Timm, W., Böcker, S., Nattkemper, T.W. (2009). Improved Mass Spectrometry Peak Intensity Prediction by Adaptive Feature Weighting. In: Köppen, M., Kasabov, N., Coghill, G. (eds) Advances in Neuro-Information Processing. ICONIP 2008. Lecture Notes in Computer Science, vol 5506. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-02490-0_63
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DOI: https://doi.org/10.1007/978-3-642-02490-0_63
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