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首页> 外文期刊>Journal of Bioinformatics and Computational Biology >Identification of best indicators of peptide-spectrum match using a permutation resampling approach
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Identification of best indicators of peptide-spectrum match using a permutation resampling approach

机译：使用置换重采样方法确定最佳的肽谱匹配指标

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摘要

Various indicators of observed-theoretical spectrum matches were compared and the resulting statistical significance was characterized using permutation resampling. Novel decoy databases built by resampling the terminal positions of peptide sequences were evaluated to identify the conditions for accurate computation of peptide match significance levels. The methodology was tested on real and manually curated tandem mass spectra from peptides across a wide range of sizes. Spectra match indicators from complementary database search programs were pro filed and optimal indicators were identified. The combination of the optimal indicator and permuted decoy databases improved the calculation of the peptide match significance compared to the approaches currently implemented in the database search programs that rely on distributional assumptions. Permutation tests using p-values obtained from software-dependent matching scores and E-values outperformed permutation tests using all other indicators. The higher overlap in matches between the database search programs when using end permutation compared to existing approaches con firmed the superiority of the end permutation method to identify peptides. The combination of effective match indicators and the end permutation method is recommended for accurate detection of peptides.
机译：比较观察到的理论光谱匹配的各种指标，并使用置换重采样对所得的统计意义进行表征。通过重新采样肽序列的末端位置建立的新型诱饵数据库被评估，以鉴定用于精确计算肽匹配显着性水平的条件。该方法论是在各种尺寸的多肽的真实和手动策划的串联质谱上进行测试的。提出了来自互补数据库搜索程序的光谱匹配指标，并确定了最佳指标。与当前基于分布假设的数据库搜索程序中实现的方法相比，最优指标和置换诱饵数据库的组合改进了肽匹配重要性的计算。使用从软件相关匹配分数和E值获得的p值进行的排列测试优于使用所有其他指标的排列测试。与现有方法相比，使用末端置换时，数据库搜索程序之间匹配项的重叠度更高，这确保了末端置换法识别肽的优越性。建议将有效的匹配指标和末端置换方法结合使用，以准确检测肽段。

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