Interim Report NFDI4Chem 2023

Steffen Neumann, Ann-Christin Andres, Felix Bach, Theo Bender, Christian Bonatto Minella, Franziska Eberl, Tillmann Fischer, Benjamin Golub, Shashank S Harivyasi, Sonja Herres‐Pawlis, Pei-Chi Huang, Johannes Hunold, John Jollife, Nicole Jung, Johannes Liermann, V. Nainala, M. Razum, Oliver Koepler, Christoph Steinbeck
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Abstract

The progress of the DFG-funded NFDI4Chem consortium (NFDI 4/1 - project number 441958208) in data management in chemistry is outlined in our latest report, highlighting the steps we have taken to integrate a data-centric approach within the chemistry community. This interim report offers a comprehensive overview of our data management activities, covering the reporting period from October 2020 to August 2023. The shift to digital tools in research documentation is driven by our work with Electronic Laboratory Notebooks (ELNs), such as Chemotion ELN, offering systematic data storage for easy retrieval and sharing. Additionally, we focus on developing repositories, such as Chemotion repository and RADAR4Chem, which fulfil the needs for the storage of chemical data. The NFDI4Chem Search Service ensures easy data access from our repositories. Our efforts extend to community engagement through conference visits and online presence, aimed at creating awareness for (digital) research data management and connecting to chemistry students and researchers. Our training programs have reached over 600 participants to date. Initiatives like the FAIR4Chem award and the Chemistry Data Days promote cultural change towards FAIR data. Our Editors4Chem initiative collaborates with publishers for standardised data management and the Ontologies4Chem workshops organised by our consortium promote the ontology development in the field. Apart from the consortium's engagement for chemists, NFDI4Chem members played key roles in the development of the NFDI as a whole. Being actively involved in the sections and task forces, NFDI4Chem promotes collaborative solutions across NFDI consortia.
NFDI4Chem 2023 中期报告
我们的最新报告概述了由 DFG 资助的 NFDI4Chem 联合体(NFDI 4/1 - 项目编号 441958208)在化学数据管理方面取得的进展,重点介绍了我们为在化学界整合以数据为中心的方法所采取的措施。这份中期报告全面概述了我们的数据管理活动,报告期为 2020 年 10 月至 2023 年 8 月。我们利用电子实验室笔记本(ELN)(如 Chemotion ELN),提供系统化的数据存储,方便检索和共享。此外,我们还致力于开发资源库,如 Chemotion 资源库和 RADAR4Chem,以满足化学数据的存储需求。NFDI4Chem 搜索服务可确保从我们的资源库中轻松获取数据。我们通过会议访问和在线展示,努力扩大社区参与,旨在提高(数字)研究数据管理意识,并与化学专业学生和研究人员建立联系。迄今为止,我们的培训计划已有 600 多人参加。FAIR4Chem 奖和化学数据日等活动促进了 FAIR 数据文化的转变。我们的 Editors4Chem 计划与出版商合作进行标准化数据管理,而我们联盟组织的 Ontologies4Chem 研讨会则促进了该领域的本体论发展。除了联盟对化学家的参与,NFDI4Chem 成员在整个 NFDI 的发展中也发挥了关键作用。NFDI4Chem 积极参与各部门和工作组的工作,促进 NFDI 联合会之间的合作解决方案。
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