Residential Collegefalse
Status已發表Published
Quality control of imbalanced mass spectra from isotopic labeling experiments
Li,Tianjun1; Chen,Long1; Gan,Min2
2019-11
Source PublicationBMC Bioinformatics
ISSN1471-2105
Volume20Issue:1Pages:549
Abstract

Background: Mass spectra are usually acquired from the Liquid Chromatography-Mass Spectrometry (LC-MS) analysis for isotope labeled proteomics experiments. In such experiments, the mass profiles of labeled (heavy) and unlabeled (light) peptide pairs are represented by isotope clusters (2D or 3D) that provide valuable information about the studied biological samples in different conditions. The core task of quality control in quantitative LC-MS experiment is to filter out low-quality peptides with questionable profiles. The commonly used methods for this problem are the classification approaches. However, the data imbalance problems in previous control methods are often ignored or mishandled. In this study, we introduced a quality control framework based on the extreme gradient boosting machine (XGBoost), and carefully addressed the imbalanced data problem in this framework. Results: In the XGBoost based framework, we suggest the application of the Synthetic minority over-sampling technique (SMOTE) to re-balance data and use the balanced data to train the boosted trees as the classifier. Then the classifier is applied to other data for the peptide quality assessment. Experimental results show that our proposed framework increases the reliability of peptide heavy-light ratio estimation significantly. Conclusions: Our results indicate that this framework is a powerful method for the peptide quality assessment. For the feature extraction part, the extracted ion chromatogram (XIC) based features contribute to the peptide quality assessment. To solve the imbalanced data problem, SMOTE brings a much better classification performance. Finally, the XGBoost is capable for the peptide quality control. Overall, our proposed framework provides reliable results for the further proteomics studies.

KeywordGradient Boosting Imbalanced Data Mass Spectra Proteomics Quality Control
DOI10.1186/s12859-019-3170-1
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaBiochemistry & Molecular Biology ; Biotechnology & Applied Microbiology ; Mathematical & Computational Biology
WOS SubjectBiochemical Research Methods ; Biotechnology & Applied Microbiology ; Mathematical & Computational Biology
WOS IDWOS:000496431900001
PublisherBMC, CAMPUS, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
Scopus ID2-s2.0-85074721797
Fulltext Access
Citation statistics
Document TypeJournal article
CollectionDEPARTMENT OF COMPUTER AND INFORMATION SCIENCE
Corresponding AuthorChen,Long
Affiliation1.Department of Computer and Information Science, University of Macau, Taipa, Macau, China
2.College of Mathematics and Computer Science, Fuzhou University, Fuzhou, Fujian, China.
First Author AffilicationUniversity of Macau
Corresponding Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Li,Tianjun,Chen,Long,Gan,Min. Quality control of imbalanced mass spectra from isotopic labeling experiments[J]. BMC Bioinformatics, 2019, 20(1), 549.
APA Li,Tianjun., Chen,Long., & Gan,Min (2019). Quality control of imbalanced mass spectra from isotopic labeling experiments. BMC Bioinformatics, 20(1), 549.
MLA Li,Tianjun,et al."Quality control of imbalanced mass spectra from isotopic labeling experiments".BMC Bioinformatics 20.1(2019):549.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Li,Tianjun]'s Articles
[Chen,Long]'s Articles
[Gan,Min]'s Articles
Baidu academic
Similar articles in Baidu academic
[Li,Tianjun]'s Articles
[Chen,Long]'s Articles
[Gan,Min]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Li,Tianjun]'s Articles
[Chen,Long]'s Articles
[Gan,Min]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.