Chemistry consortium with the National Research Data Infrastructure NFDI
Dr. Oliver Koepler
Deutsche Forschungsgemeinschaft – German Research Foundation (DFG)
October 2020 – September 2025
NFDI4Chem is the chemistry consortium within the National Research Data (NFDI) initiative. It is one of the first 9 NFDI-consortia to receive funding. 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.
The NFDI4Chem project is organised in 6 task areas. TA1 Management and Coordination will ensure management of the project, TA2 Smart Laboratory (Smart Lab) focuses on the implementation and adaptation of existing and development of so far missing IT components, necessary to capture data early in the life cycle and to further manage, analyse and store associated information. TA3 Repositories enables the reliable storage, dissemination and archival of all relevant research data. TA3 will adapt major existing chemistry repositories and databases to standards and interfaces. TA4 Standards creates and maintains the specification and documentation of standards required for archival, publication and exchange of data and metadata on molecule characterisation and reactions. TA5 Community interfaces between community and infrastructure units. TA6 Synergies is lead by TIB and coordinates the activities of NFDI4Chem with the other NFDI consortia. TA6 is responsible for the coordination of the cross-cutting topics, including cross-domain metadata standards, semantic data annotation for cross-domain mapping of ontologies, provision of terminology services as well as legal aspects of FAIR RDM. Harmonisation will be sought by working with international bodies such as the Research Data Alliance (RDA) and the International Union of Pure and Applied Chemistry (IUPAC). TA6 develops ontologies needed for NFDI4Chem, and an overarching search service and terminology service, both will be linked to the NFDI.
Friedrich-Schiller University Jena, FIZ Karlsruhe, Johannes Gutenberg-University Mainz, RWTH Aachen University, Karlsruher Institute for Technology (KIT), Leibniz Institute of Plant Biochemistry (IPB Halle) and 19 more participants
Steinbeck, Christoph; Koepler, Oliver; Bach, Felix; Herres-Pawlis, Sonja; Jung, Nicole; Liermann, Johannes C; Neumann, Steffen; Razum, Matthias; Baldauf, Carsten; Biedermann, Frank; Bocklitz, Thomas W; Boehm, Franziska; Broda, Frank; Czodrowski, Paul; Engel, Thomas; Hicks, Martin G; Kast, Stefan M; Kettner, Carsten; Koch, Wolfram; Lanza, Giacomo; Link, Andreas; Mata, Ricardo A; Nagel, Wolfgang E; Porzel, Andrea; Schlörer, Nils; Schulze, Tobias; Weinig, Hans-Georg; Wenzel, Wolfgang; Wessjohann, Ludger A; Wulle, Stefan:
NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany, RIO Journal, 2020. https://doi.org/10.3897/rio.6.e55852
TIB would like to thank the Federal Government and the Heads of Government of the Länder, as well as the Joint Science Conference (GWK), for their funding and support within the framework of the NFDI4IChem consortium. Funded by the German Research Foundation (DFG) - project number 441958208.