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Updated: May 3, 2026

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化学科学中的数据可访问性:对有机化学期刊最新实践的分析

Sally Bloodworth¹, Cerys Willoughby¹, Simon J Coles¹

¹School of Chemistry and Chemical Engineering, University of Southampton, Highfield, Southampton SO17 1BJ, UK.

Beilstein journal of organic chemistry

|May 7, 2025

概括

有机化学研究人员对推的数据共享政策的遵守程度有限,这影响了机器学习的数据重用性. 提高数据的可发现性需要采用FAIR数据原则和开放的存储库存储.

科学领域:

化学化学化学
数据科学数据科学数据科学
科学出版科研出版

背景情况:

数据的可发现性和可重复使用性对于在化学科学中推进机器学习至关重要.
公平指导原则为确保科学数据可访问和可重复使用提供了一个框架.
有机化学研究中的当前数据实践需要对FAIR数据合规性进行调查.

研究的目的:

分析发表在有机化学专业期刊上的研究人员的数据实践.
评估遵守推的 (但不是强制性的) 数据共享政策.
评估已公布的化学研究数据的可访问性和可重复使用性.

主要方法:

分析了来自12个顶级有机化学期刊的240篇随机选择的研究论文 (2023年初).
调查作者是否遵守期刊数据政策,重点关注建议的指导方针.
评估数据的可访问性和可重复使用性,包括特定NMR数据发布建议的影响.

主要成果:

作者符合强制性出版要求,但对推的数据共享政策的遵守非常有限.
有很少的证据表明当前的出版实践与FAIR数据指导一致.
发表NMR数据的期刊建议并没有显著改善作者遵守.

结论:

在有机化学中,强制要求和推的数据共享实践之间存在很大的差距.
当前的研究数据实践不充分支持FAIR数据的原则.
促进数据共享文化需要定期将原始数据和元数据存入开放的存储库,以及机器可读的标识符.

关键词:

公平的原则公平的原则关于NMR数据的数据数据可用性数据的可用性.杂志指南杂志指南有机化学有机化学

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