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Confidence assignment for mass spectrometry based peptide identifications via the extreme value distribution

机译:通过极值分布进行基于质谱的肽段鉴定的置信度分配

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摘要

>Motivation : There is a growing trend for biomedical researchers to extract evidence and draw conclusions from mass spectrometry based proteomics experiments, the cornerstone of which is peptide identification. Inaccurate assignments of peptide identification confidence thus may have far-reaching and adverse consequences. Although some peptide identification methods report accurate statistics, they have been limited to certain types of scoring function. The extreme value statistics based method, while more general in the scoring functions it allows, demands accurate parameter estimates and requires, at least in its original design, excessive computational resources. Improving the parameter estimate accuracy and reducing the computational cost for this method has two advantages: it provides another feasible route to accurate significance assessment, and it could provide reliable statistics for scoring functions yet to be developed. >Results : We have formulated and implemented an efficient algorithm for calculating the extreme value statistics for peptide identification applicable to various scoring functions, bypassing the need for searching large random databases. >Availability and Implementation : The source code, implemented in C ++ on a linux system, is available for download at >Contact: >Supplementary information: are available at Bioinformaticsonline.
机译:>动机:生物医学研究人员从基于蛋白质组学的质谱实验中提取证据并得出结论的趋势正在增长,其基础是肽鉴定。因此,肽段鉴定可信度的不正确分配可能会产生深远的不利影响。尽管某些肽鉴定方法报告了准确的统计信息,但它们仅限于某些类型的评分功能。基于极值统计的方法虽然在评分功能中更通用,但需要准确的参数估计,并且至少在其原始设计中需要过多的计算资源。提高该方法的参数估计精度和降低计算成本有两个优点:它为准确的重要性评估提供了另一条可行的途径,并且可以为尚待开发的评分功能提供可靠的统计信息。 >结果:我们已经制定并实施了一种高效的算法,可计算适用于各种评分功能的肽段鉴定的极值统计量,而无需搜索大型随机数据库。 >可用性和实现:可在>联系人: >补充信息:可从生物信息学获得线上。

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