将研究数据与物理保存的化学研究材料联系起来.
Chia-Lin Lin1, Pei-Chi Huang1, Simone Gräßle1
1Institute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131, Karlsruhe, Germany.
Scientific data
|January 22, 2025
概括
发表FAIR数据对于化学复制性至关重要. 将材料档案与数据库集成,通过将实物样本与其研究数据联系起来,提高了透明度和可持续性.
科学领域:
- 化学 化学 化学
- 数据科学数据科学数据科学
- 材料科学 材料科学 材料科学
背景情况:
- 化学的科学成果通常是材料和数据.
- 公平的数据原则提高了透明度和可重复性.
- 物理材料的保存对于可持续化学是必不可少的.
研究的目的:
- 开发一个全面的基础设施,以访问化学数据和材料.
- 将 Chemotion 存储库与化学化合物档案集成在一起.
- 将物理样本与相关的FAIR研究数据联系起来.
主要方法:
- 将 Chemotion 存储库与材料档案结合起来.
- 为虚拟样本表示创建FAIR元数据.
- 将虚拟样本与实体样本和研究数据联系起来.
- 关于样品可查找性,可访问性和可重复使用性的实施措施.
主要成果:
- 一个统一的基础设施,用于访问化学数据和材料.
- 虚拟样本元数据与实物样本的成功链接.
- 建立了物理样本和FAIR研究数据之间的联系.
- 提高物理化学样品的可查,可访问性和可重复使用性.
结论:
- 整合数据库与材料档案是可持续化学的关键.
- 虚拟样本的FAIR元数据可以实现强大的样本跟踪和数据链接.
- 综合性基础设施提高了化学研究中的透明度,可重复性和可重复使用性.
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