Benchmarking currently available SELDI‐TOF MS preprocessing techniques

SELDI protein profiling experiments can be used as a first step in studying the pathogenesis of various diseases such as cancer. There are a plethora of software packages available for doing the preprocessing of SELDI data, each with many options and written from different signal processing perspectives, offering many researchers choices they may not have the background or desire to make. Moreover, several studies have shown that mistakes in the preprocessing of the data can bias the biological interpretation of the study. For this reason, we conduct a large scale evaluation of available signal processing techniques to establish which are most effective. We use data generated from a standard, published simulation engine so that “truth” is known. We select the top algorithms by considering two logical performance metrics, and give our recommendations for research directions that are likely to be most promising. There is considerable opportunity for future contributions improving the signal processing of SELDI spectra.

[1]  Jeffrey A. Borgia,et al.  Serum biomarker discovery for ovarian serous carcinoma using novel proteomic methods , 2007 .

[2]  E. Diamandis,et al.  Plasma protein profiling by mass spectrometry for cancer diagnosis: opportunities and limitations. , 2005, Clinical cancer research : an official journal of the American Association for Cancer Research.

[3]  Jeffrey S. Morris,et al.  Understanding the characteristics of mass spectrometry data through the use of simulation , 2005, Cancer informatics.

[4]  Andreas Quandt,et al.  Finding regions of significance in SELDI measurements for identifying protein biomarkers , 2006, Bioinform..

[5]  Tom Fawcett,et al.  ROC Graphs: Notes and Practical Considerations for Data Mining Researchers , 2003 .

[6]  Michael Buckley,et al.  Novel biomarkers of human growth hormone action from serum proteomic profiling using protein chip mass spectrometry. , 2006, The Journal of clinical endocrinology and metabolism.

[7]  Marcel J. T. Reinders,et al.  Comparison of normalisation methods for surface-enhanced laser desorption and ionisation (SELDI) time-of-flight (TOF) mass spectrometry data , 2008, BMC Bioinformatics.

[8]  Y. Benjamini,et al.  Controlling the false discovery rate: a practical and powerful approach to multiple testing , 1995 .

[9]  M. Larman,et al.  1,2-propanediol and the type of cryopreservation procedure adversely affect mouse oocyte physiology. , 2007, Human reproduction.

[10]  Mårten Fernö,et al.  In-source decay causes artifacts in SELDI-TOF MS spectra. , 2007, Journal of proteome research.

[11]  E. Diamandis Serum proteomic profiling by matrix-assisted laser desorption-ionization time-of-flight mass spectrometry for cancer diagnosis: next steps. , 2006, Cancer research.

[12]  Andreas Wiesner,et al.  Detection of tumor markers with ProteinChip technology. , 2004, Current pharmaceutical biotechnology.

[13]  Jean YH Yang,et al.  Bioconductor: open software development for computational biology and bioinformatics , 2004, Genome Biology.

[14]  E. Diamandis Analysis of serum proteomic patterns for early cancer diagnosis: drawing attention to potential problems. , 2004, Journal of the National Cancer Institute.

[15]  Marina Vannucci,et al.  Comparison of algorithms for pre-processing of SELDI-TOF mass spectrometry data , 2008, Bioinform..

[16]  P. Schellhammer,et al.  Boosted decision tree analysis of surface-enhanced laser desorption/ionization mass spectral serum profiles discriminates prostate cancer from noncancer patients. , 2002, Clinical chemistry.

[17]  Zhen Zhang,et al.  Quality control for SELDI analysis , 2005, Clinical chemistry and laboratory medicine.

[18]  G. Church,et al.  Preferred analysis methods for Affymetrix GeneChips revealed by a wholly defined control dataset , 2005, Genome Biology.

[19]  Terence C W Poon,et al.  Opportunities and limitations of SELDI-TOF-MS in biomedical research: practical advices , 2007, Expert review of proteomics.

[20]  Pan Du,et al.  Bioinformatics Original Paper Improved Peak Detection in Mass Spectrum by Incorporating Continuous Wavelet Transform-based Pattern Matching , 2022 .

[21]  Jeffrey S. Morris,et al.  Feature extraction and quantification for mass spectrometry in biomedical applications using the mean spectrum , 2005, Bioinform..

[22]  E. Diamandis Point: Proteomic patterns in biological fluids: do they represent the future of cancer diagnostics? , 2003, Clinical chemistry.

[23]  Thomas P Conrads,et al.  The SELDI-TOF MS approach to proteomics: protein profiling and biomarker identification. , 2002, Biochemical and biophysical research communications.

[24]  Erika Check,et al.  Proteomics and cancer: Running before we can walk? , 2004, Nature.

[25]  D. Chan,et al.  Evaluation of serum protein profiling by surface-enhanced laser desorption/ionization time-of-flight mass spectrometry for the detection of prostate cancer: I. Assessment of platform reproducibility. , 2005, Clinical chemistry.

[26]  P. Schellhammer,et al.  Serum protein fingerprinting coupled with a pattern-matching algorithm distinguishes prostate cancer from benign prostate hyperplasia and healthy men. , 2002, Cancer research.

[27]  D. Chan,et al.  Bioinformatics strategies for proteomic profiling. , 2004, Clinical biochemistry.

[28]  Annette Kopp-Schneider,et al.  Comparison of software tools to improve the detection of carcinogen induced changes in the rat liver proteome by analyzing SELDI-TOF-MS spectra. , 2006, Journal of proteome research.

[29]  E. Petricoin,et al.  Use of proteomic patterns in serum to identify ovarian cancer , 2002, The Lancet.

[30]  Jeffrey S. Morris,et al.  Reproducibility of SELDI-TOF protein patterns in serum: comparing datasets from different experiments , 2004, Bioinform..

[31]  E. Fung,et al.  ProteinChip clinical proteomics: computational challenges and solutions. , 2002, BioTechniques.

[32]  Jeffrey S. Morris,et al.  Improved peak detection and quantification of mass spectrometry data acquired from surface‐enhanced laser desorption and ionization by denoising spectra with the undecimated discrete wavelet transform , 2005, Proteomics.

[33]  Matthias Schwab,et al.  Making scientific computations reproducible , 2000, Comput. Sci. Eng..

[34]  E. Petricoin,et al.  Early detection: Proteomic applications for the early detection of cancer , 2003, Nature Reviews Cancer.

[35]  J. Sung,et al.  Serum Amyloid A Is Not Useful in the Diagnosis of Severe Acute Respiratory Syndrome , 2006, Clinical chemistry.

[36]  Suzanne D Vernon,et al.  Laboratory methods to improve SELDI peak detection and quantitation , 2007, Proteome Science.

[37]  Thomas P Conrads,et al.  SELDI-TOF MS for diagnostic proteomics. , 2003, Analytical chemistry.

[38]  M. Trosset,et al.  Enhancement of sensitivity and resolution of surface-enhanced laser desorption/ionization time-of-flight mass spectrometric records for serum peptides using time-series analysis techniques. , 2005, Clinical chemistry.

[39]  D. Hochstrasser,et al.  The dynamic range of protein expression: A challenge for proteomic research , 2000, Electrophoresis.

[40]  Robert Tibshirani,et al.  Sample classification from protein mass spectrometry, by 'peak probability contrasts' , 2004, Bioinform..

[41]  Min Zhan,et al.  A data review and re-assessment of ovarian cancer serum proteomic profiling , 2003, BMC Bioinformatics.

[42]  R. Aebersold,et al.  Mass Spectrometry and Protein Analysis , 2006, Science.