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Interim Report NFDI4Chem 2023

Research Ideas and Outcomes, vol. 10

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.

Authors 19

  1. Steffen Neumann corresponding Aachen

    Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    Leibniz Institute of Plant Biochemistry , Halle , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  2. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    Leibniz Institute of Plant Biochemistry , Halle , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  3. Felix Bach Aachen

    Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  4. Theo Bender Aachen

    Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  5. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  6. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    Leibniz Institute of Plant Biochemistry , Halle , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  7. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    Leibniz Institute of Plant Biochemistry , Halle , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  8. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  9. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  10. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  11. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    Leibniz Institute of Plant Biochemistry , Halle , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  12. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    Johannes Gutenberg University Mainz , Mainz , Germany

    Karlsruhe Institute of Technology , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  13. John Jollife Aachen

    Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  14. Nicole Jung Aachen

    Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  15. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  16. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  17. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  18. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

  19. Karlsruhe Institute of Technology · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure · Johannes Gutenberg University Mainz · Technische Informationsbibliothek (TIB) · Leibniz Institute of Plant Biochemistry · Friedrich Schiller University Jena · RWTH Aachen University · Technische Universität Braunschweig

    Affiliation as printed

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure , Karlsruhe , Germany

    FIZ Karlsruhe -Leibniz Institute for Information Infrastructure, Karlsruhe, Germany

    Friedrich-Schiller-University, Jena, Germany

    Johannes Gutenberg University Mainz, Mainz, Germany

    Karlsruhe Institute of Technology, Karlsruhe, Germany

    Leibniz Institute of Plant Biochemistry, Halle, Germany

    RWTH Aachen University, Aachen, Germany

    TIB Leibniz Information Centre for Science and Technology, Hannover, Germany

    Technische Universität Braunschweig, Braunschweig, Germany

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References 53