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纳米材料数据管理计划:一种评估、评价和推动该领域发展状况的协作方法。

The Nanomaterial Data Curation Initiative: A collaborative approach to assessing, evaluating, and advancing the state of the field.

作者信息

Hendren Christine Ogilvie, Powers Christina M, Hoover Mark D, Harper Stacey L

机构信息

Center for the Environmental Implications of NanoTechnology, Duke University, Durham, NC, USA.

National Center for Environmental Assessment, Office of Research and Development, U.S. Environmental Protection Agency, RTP, NC, USA ; current affiliation: Office of Transportation and Air Quality, Office of Air and Radiation, U.S. EPA, Ann Arbor, MI, USA.

出版信息

Beilstein J Nanotechnol. 2015 Aug 18;6:1752-62. doi: 10.3762/bjnano.6.179. eCollection 2015.

Abstract

The Nanomaterial Data Curation Initiative (NDCI), a project of the National Cancer Informatics Program Nanotechnology Working Group (NCIP NanoWG), explores the critical aspect of data curation within the development of informatics approaches to understanding nanomaterial behavior. Data repositories and tools for integrating and interrogating complex nanomaterial datasets are gaining widespread interest, with multiple projects now appearing in the US and the EU. Even in these early stages of development, a single common aspect shared across all nanoinformatics resources is that data must be curated into them. Through exploration of sub-topics related to all activities necessary to enable, execute, and improve the curation process, the NDCI will provide a substantive analysis of nanomaterial data curation itself, as well as a platform for multiple other important discussions to advance the field of nanoinformatics. This article outlines the NDCI project and lays the foundation for a series of papers on nanomaterial data curation. The NDCI purpose is to: 1) present and evaluate the current state of nanomaterial data curation across the field on multiple specific data curation topics, 2) propose ways to leverage and advance progress for both individual efforts and the nanomaterial data community as a whole, and 3) provide opportunities for similar publication series on the details of the interactive needs and workflows of data customers, data creators, and data analysts. Initial responses from stakeholder liaisons throughout the nanoinformatics community reveal a shared view that it will be critical to focus on integration of datasets with specific orientation toward the purposes for which the individual resources were created, as well as the purpose for integrating multiple resources. Early acknowledgement and undertaking of complex topics such as uncertainty, reproducibility, and interoperability is proposed as an important path to addressing key challenges within the nanomaterial community, such as reducing collateral negative impacts and decreasing the time from development to market for this new class of technologies.

摘要

纳米材料数据管理计划(NDCI)是国家癌症信息学计划纳米技术工作组(NCIP NanoWG)的一个项目,该计划探索了在理解纳米材料行为的信息学方法开发过程中数据管理的关键方面。用于整合和查询复杂纳米材料数据集的数据存储库和工具正受到广泛关注,美国和欧盟现在都出现了多个相关项目。即使在这些早期开发阶段,所有纳米信息学资源共有的一个共同方面是,数据必须经过整理才能纳入其中。通过探索与实现、执行和改进整理过程所需的所有活动相关的子主题,NDCI将对纳米材料数据整理本身进行实质性分析,并为推进纳米信息学领域的其他多项重要讨论提供一个平台。本文概述了NDCI项目,并为一系列关于纳米材料数据整理的论文奠定了基础。NDCI的目的是:1)介绍和评估多个特定数据整理主题领域内纳米材料数据整理的现状;2)提出方法,以促进个人努力和整个纳米材料数据社区的发展;3)为类似的出版物系列提供机会,以详细介绍数据客户、数据创建者和数据分析师的交互需求和工作流程。纳米信息学社区中利益相关者联络人的初步反馈表明,大家普遍认为,至关重要的是要专注于数据集的整合,尤其要针对创建各个资源的目的以及整合多个资源的目的进行特定导向的整合。有人提出,尽早认识并处理不确定性、可重复性和互操作性等复杂主题,是应对纳米材料社区内关键挑战的重要途径,比如减少附带的负面影响,缩短这类新技术从开发到上市的时间。

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