Prediction of peptide drift time in ion mobility mass spectrometry from sequence-based features
Online Publication Date2013-05-09
Print Publication Date2013
Permanent link to this recordhttp://hdl.handle.net/10754/325237
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AbstractBackground: Ion mobility-mass spectrometry (IMMS), an analytical technique which combines the features of ion mobility spectrometry (IMS) and mass spectrometry (MS), can rapidly separates ions on a millisecond time-scale. IMMS becomes a powerful tool to analyzing complex mixtures, especially for the analysis of peptides in proteomics. The high-throughput nature of this technique provides a challenge for the identification of peptides in complex biological samples. As an important parameter, peptide drift time can be used for enhancing downstream data analysis in IMMS-based proteomics.Results: In this paper, a model is presented based on least square support vectors regression (LS-SVR) method to predict peptide ion drift time in IMMS from the sequence-based features of peptide. Four descriptors were extracted from peptide sequence to represent peptide ions by a 34-component vector. The parameters of LS-SVR were selected by a grid searching strategy, and a 10-fold cross-validation approach was employed for the model training and testing. Our proposed method was tested on three datasets with different charge states. The high prediction performance achieve demonstrate the effectiveness and efficiency of the prediction model.Conclusions: Our proposed LS-SVR model can predict peptide drift time from sequence information in relative high prediction accuracy by a test on a dataset of 595 peptides. This work can enhance the confidence of protein identification by combining with current protein searching techniques. 2013 Wang et al.; licensee BioMed Central Ltd.
CitationWang B, Zhang J, Chen P, Ji Z, Deng S, et al. (2013) Prediction of peptide drift time in ion mobility mass spectrometry from sequence-based features. BMC Bioinformatics 14: S9. doi:10.1186/1471-2105-14-S8-S9.
PubMed Central IDPMC3654891
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- Issue date: 2010 Apr 11
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- [A new peptide retention time prediction method for mass spectrometry based proteomic analysis by a serial and parallel support vector machine model].
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- Issue date: 2012 Sep
- Machine learning based prediction for peptide drift times in ion mobility spectrometry.
- Authors: Shah AR, Agarwal K, Baker ES, Singhal M, Mayampurath AM, Ibrahim YM, Kangas LJ, Monroe ME, Zhao R, Belov ME, Anderson GA, Smith RD
- Issue date: 2010 Jul 1
- Modeling and prediction of peptide drift times in ion mobility spectrometry using sequence-based and structure-based approaches.
- Authors: Zhang Y, Jin Q, Wang S, Ren R
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