An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology

An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology
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基于 ISA-TAB-Nano 的数据收集框架,支持数据驱动的纳米毒理学建模

DOI:
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发表时间:
2015
影响因子:
3.1
通讯作者:
R. Rallo
R. Rallo
中科院分区:
材料科学3区
文献类型:
--
作者:
R. L. Marchese Robinson;M. Cronin;A. Richarz;R. Rallo

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通过使用标准化电子格式报告数据,有助于分析纳米毒理学数据的趋势和开发数据驱动的纳米毒性模型。ISA-TAB-Nano就是这样一种格式。然而,为了根据这种格式构建有用的数据集,必须解决各种问题。这些问题包括关于报告哪些(元)数据以及如何报告这些数据的问题。目前的文章讨论了与使用ISA-TAB-Nano相关的一些挑战,并提供了一套旨在促进从纳米毒理学文献手动创建ISA-TAB-Nano数据集的资源。这些资源是在NanoPUZZLES EU项目的范围内开发的,包括数据收集模板、扩展通用ISA-TAB-Nano规范的相应业务规则以及促进在其他纳米信息学资源中解析和整合这些数据集的Python代码。支持信息中的“玩具数据集”说明了这些资源的使用。讨论了这些资源的优势和劣势以及未来可能的发展。
Analysis of trends in nanotoxicology data and the development of data driven models for nanotoxicity is facilitated by the reporting of data using a standardised electronic format. ISA-TAB-Nano has been proposed as such a format. However, in order to build useful datasets according to this format, a variety of issues has to be addressed. These issues include questions regarding exactly which (meta)data to report and how to report them. The current article discusses some of the challenges associated with the use of ISA-TAB-Nano and presents a set of resources designed to facilitate the manual creation of ISA-TAB-Nano datasets from the nanotoxicology literature. These resources were developed within the context of the NanoPUZZLES EU project and include data collection templates, corresponding business rules that extend the generic ISA-TAB-Nano specification as well as Python code to facilitate parsing and integration of these datasets within other nanoinformatics resources. The use of these resources is illustrated by a “Toy Dataset” presented in the Supporting Information. The strengths and weaknesses of the resources are discussed along with possible future developments.
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