Abstract

The vision of NFDI4Chem is the digitalisation of all key steps in chemical research to support scientists in their efforts to collect, store, process, analyse, disclose and re-use research data. Measures to promote Open Science and Research Data Management (RDM) in agreement with the FAIR data principles are fundamental aims of NFDI4Chem to serve the chemistry community with a holistic concept for access to research data. To this end, the overarching objective is the development and maintenance of a national research data infrastructure for the research domain of chemistry in Germany, and to enable innovative and easy to use services and novel scientific approaches based on re-use of research data. NFDI4Chem intends to represent all disciplines of chemistry in academia. We aim to collaborate closely with thematically related consortia. In the initial phase, NFDI4Chem focuses on data related to molecules and reactions including data for their experimental and theoretical characterisation. This overarching goal is achieved by working towards a number of key objectives: Key Objective 1: Establish a virtual environment of federated repositories for storing, disclosing, searching and re-using research data across distributed data sources. Connect existing data repositories and, based on a requirements analysis, establish domain-specific research data repositories for the national research community, and link them to international repositories. Key Objective 2: Initiate international community processes to establish minimum information (MI) standards for data and machine-readable metadata as well as open data standards in key areas of chemistry. Identify and recommend open data standards in key areas of chemistry, in order to support the FAIR principles for research data. Finally, develop standards, if there is a lack. Key Objective 3: Foster cultural and digital change towards Smart Laboratory Environments by promoting the use of digital tools in all stages of research and promote subsequent Research Data Management (RDM) at all levels of academia, beginning in undergraduate studies curricula. Key Objective 4: Engage with the chemistry community in Germany through a wide range of measures to create awareness for and foster the adoption of FAIR data management. Initiate processes to integrate RDM and data science into curricula. Offer a wide range of training opportunities for researchers. Key Objective 5: Explore synergies with other consortia and promote cross-cutting development within the NFDI. Key Objective 6: Provide a legally reliable framework of policies and guidelines for FAIR and open RDM.

Highlights

  • This overarching goal is achieved by working towards a number of key objectives: Key Objective 1: Establish a virtual environment of federated repositories for storing, disclosing, searching and re-using research data across distributed data sources

  • Together with MaRDI we have identified the potential of new research insights by providing suitable and easy-to-use interfaces to apply mathematical methods of MaRDI on chemical data retrieved from the NFDI4Chem repositories

  • We see the following topics as areas where NFDI4Chem would invest effort to coordinate across consortia with the whole of the NFDI: General principles of FAIR data management, international networking and awareness-raising: Key personnell of NFDI4Chem are active in a number of international efforts, such as GO FAIR, Research Data Alliance (RDA) interest groups, ELIXIR implementation networks, the European Open Science Cloud (EOSC) and more, which promote FAIR data in both the chemical as well as biomedical domain

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Summary

Infrastructure for Chemistry in Germany

Christoph Steinbeck‡, Oliver Koepler§, Felix Bach|, Sonja Herres-Pawlis¶, Nicole Jung|, Johannes C. Liermann#, Steffen Neumann¤, Matthias Razum«, Carsten Baldauf», Frank Biedermann|, Thomas W. Franziska Boehm«, Frank Broda¤, Paul Czodrowski, Thomas Engel¦, Martin G. Nagel₱, Andrea Porzel¤, Nils Schlörer₳, Tobias Schulze₴, Hans-Georg Weinig, Wolfgang Wenzel|, Ludger A.

Thematic Embedding
International networking
Organisational structure and viability
Operating model
Research Data Management Strategy
Metadata standards
Implementation of the FAIR principles and data quality assurance
Services provided by the consortium
Contingency measures
Work Programme
Risks and Mitigation Strategies
Description of management risks
Description and Objectives
Findings
Description of risks
Full Text
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