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Automated benchmarking of peptide-MHC class I binding predictions

机译:肽-MHC I类结合预测的自动基准测试

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Motivation: Numerous in silico methods predicting peptide binding to major histocompatibility complex (MHC) class I molecules have been developed over the last decades. However, the multitude of available prediction tools makes it non-trivial for the end-user to select which tool to use for a given task. To provide a solid basis on which to compare different prediction tools, we here describe a framework for the automated benchmarking of peptide-MHC class I binding prediction tools. The framework runs weekly benchmarks on data that are newly entered into the Immune Epitope Database (IEDB), giving the public access to frequent, up-to-date performance evaluations of all participating tools. To overcome potential selection bias in the data included in the IEDB, a strategy was implemented that suggests a set of peptides for which different prediction methods give divergent predictions as to their binding capability. Upon experimental binding validation, these peptides entered the benchmark study.
机译:动机:在过去的几十年中,已经开发出许多计算机模拟方法来预测肽与主要组织相容性复合体(MHC)I类分子的结合。但是,大量可用的预测工具使最终用户选择用于给定任务的工具并非易事。为了为比较不同的预测工具提供坚实的基础,我们在这里描述了肽-MHC I类结合预测工具的自动基准测试框架。该框架针对新输入到免疫表位数据库(IEDB)的数据运行每周基准测试,使公众可以频繁访问所有参与工具的最新性能评估。为了克服IEDB中包含的数据中潜在的选择偏见,实施了一种策略,该策略建议了一组肽,针对这些肽,不同的预测方法对其结合能力给出了不同的预测。经过实验性结合验证,这些肽进入了基准研究。

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