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Quantifying Reproducibility in Computational Biology: The Case of the Tuberculosis Drugome

机译:量化计算生物学中的可重复性:以结核药物组为例

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摘要

How easy is it to reproduce the results found in a typical computational biology paper? Either through experience or intuition the reader will already know that the answer is with difficulty or not at all. In this paper we attempt to quantify this difficulty by reproducing a previously published paper for different classes of users (ranging from users with little expertise to domain experts) and suggest ways in which the situation might be improved. Quantification is achieved by estimating the time required to reproduce each of the steps in the method described in the original paper and make them part of an explicit workflow that reproduces the original results. Reproducing the method took several months of effort, and required using new versions and new software that posed challenges to reconstructing and validating the results. The quantification leads to “reproducibility maps” that reveal that novice researchers would only be able to reproduce a few of the steps in the method, and that only expert researchers with advance knowledge of the domain would be able to reproduce the method in its entirety. The workflow itself is published as an online resource together with supporting software and data. The paper concludes with a brief discussion of the complexities of requiring reproducibility in terms of cost versus benefit, and a desiderata with our observations and guidelines for improving reproducibility. This has implications not only in reproducing the work of others from published papers, but reproducing work from one’s own laboratory.
机译:重现典型的计算生物学论文中发现的结果有多容易?通过经验或直觉,读者将已经知道答案很困难或根本没有答案。在本文中,我们尝试通过针对不同类别的用户(从专业知识很少的用户到领域专家的范围)复制以前发表的论文来量化此难度,并提出改善这种情况的方法。通过估算重现原始论文中描述的方法中每个步骤所需的时间,并使它们成为重现原始结果的显式工作流程的一部分,可以实现量化。再现该方法花费了几个月的时间,并且需要使用新版本和新软件,这些新版本和新软件对重建和验证结果提出了挑战。量化产生“可重复性图”,该图表明新手研究人员只能重现该方法中的一些步骤,并且只有对领域有深入了解的专家研究人员才能重现整个方法。工作流本身与支持的软件和数据一起作为在线资源发布。本文最后以成本与收益的角度简要讨论了要求可重复性的复杂性,并以我们对提高可重复性的观察结果和指导原则进行了研究。这不仅意味着从已发表的论文中复制他人的作品,而且还复制了自己实验室中的作品。

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