diff --git a/book/contributions/jh_cbm_nfdi4chem_Repo/images/NFDI4Chem_Repo_fig1.png b/book/contributions/jh_cbm_nfdi4chem_Repo/images/NFDI4Chem_Repo_fig1.png new file mode 100644 index 00000000..8f0af85d Binary files /dev/null and b/book/contributions/jh_cbm_nfdi4chem_Repo/images/NFDI4Chem_Repo_fig1.png differ diff --git a/book/contributions/jh_cbm_nfdi4chem_Repo/nfdi4chem_repo.md b/book/contributions/jh_cbm_nfdi4chem_Repo/nfdi4chem_repo.md new file mode 100644 index 00000000..9a58bd7f --- /dev/null +++ b/book/contributions/jh_cbm_nfdi4chem_Repo/nfdi4chem_repo.md @@ -0,0 +1,72 @@ +Authors: [Johannes Hunold](https://orcid.org/0000-0002-4378-6061), [Christian Bonatto Minella](https://orcid.org/0000-0001-7696-7662) + +# About NFDI4Chem + +[NFDI4Chem](https://www.nfdi4chem.de/) is the Chemistry Consortium in the National Research Data Infrastructure for Germany [NFDI](https://www.nfdi.de/?lang=en) +(German: **N**ationale **F**orschungs**D**aten**I**nfrastruktur), a project launched in 2018 and funded by the German +government to build a national research data infrastructure in Germany for a wide range of scientific disciplines. The +vision of NFDI4Chem is to digitize all key steps in chemical research to support scientists in their efforts to collect, +store, process, analyze, publish, and reuse research data. Actions to promote open science and research data management +(RDM) in line with the [FAIR data principles](https://www.go-fair.org/fair-principles/) are fundamental objectives of NFDI4Chem to provide the chemistry +community with a holistic approach to research data access. To this end, the overall goal is to develop and maintain +innovative and user-friendly services and novel scientific approaches based on the reuse of research data. NFDI4Chem +aims to represent all disciplines of chemistry in academia and therefore works closely with thematically related NFDI +consortia. + +# NFDI4Chem Federation of Repositories & Search Service + +[Figure 1](images/NFDI4Chem_Repo_fig1.png) displays the repositories chosen by NFDI4Chem as the foundation of its +federation due to their potential for development. + +![Figure 1: Guide for selecting the appropriate repository for different types of data.](images/NFDI4Chem_Repo_fig1.png) + +- [Chemotion Repository](https://www.chemotion-repository.net/welcome): +Field-specific sample and reaction-centric repository including analysis data such as NMR, IR, and mass data. + +- [RADAR4Chem](https://www.nfdi4chem.de/index.php/2650-2/): +Multidisciplinary repository that offers a free and reliable home for all chemical research data that do not fulfill +the specifications of field-specific repositories. + +- [nmrXiv](https://nmrxiv.org/): +(pronounced nm-archive) is a FAIR and Open, Consensus-Driven Nuclear Magnetic Resonance (NMR) Data +Repository and Computational platform. + +- [MassBank EU](https://massbank.eu/MassBank/): +Field-specific ecosystem of databases and tools for mass spectrometry reference spectra. + +- [STRENDA DB](https://www.beilstein-strenda-db.org/): +Field-specific repository for enzymology data, which incorporates the STRENDA Guidelines for reporting enzymology data. + +- [SUPRABANK](https://suprabank.org/): +Field-specific repository for intermolecular interaction data. + +- [ICSD](https://icsd.fiz-karlsruhe.de/): +Field-specific repository for x-ray diffraction data of inorganic compounds, elements, minerals, and intermetallic +compounds, operated by FIZ Karlsruhe. + +- [CSD](https://www.ccdc.cam.ac.uk/structures/): +Field-specific repository for x-ray diffraction data of molecules generally containing at least carbon and hydrogen, +operated by the Cambridge Crystallographic Data Centre (CCDC). + +- [NOMAD](https://nomad-lab.eu/nomad-lab/): +Field-specific repository for materials science data. + +Additional information regarding the aforementioned repositories can be found in the [NFDI4Chem Knowledge Base](https://knowledgebase.nfdi4chem.de/knowledge_base/docs/choose_repository/). +Furthermore, we recently conducted an [analysis of chemistry data repositories in re3data](https://zenodo.org/records/8347993) to determine which +open access repositories accept data from all scientists worldwide. Out of the 12 resulting repositories, seven are +included in the NFDI4Chem federation. + +The [NFDI4Chem Search Service](https://search.nfdi4chem.de/) offers a comprehensive search across various chemical and +chemistry-related repositories of the NFDI4Chem federation. The service collects metadata from all integrated +repositories and provides a single point of entry for chemical dataset searches. For example, it allows users to +search for all available data for a specific molecule in the federation. It revolutionizes the management of chemical +research data by following the FAIR data principles, which promote **F**indability, **A**ccessibility, +**I**nteroperability, and **R**eusability. + +The integration of OAI-PMH and JSON-LD for metadata harvesting provides a standardized schema enriched with +domain-specific metadata, such as chemical structure identifiers like InChI, InChIKey, and SMILES, in addition to +standard generic metadata like title, author, and date. The molecule view facilitates the comparison of several +datasets of individual molecules, promoting collaborative research in the chemical sciences. Original research +datasets can be accessed through links in the connected repositories. The NFDI4Chem Search Service is built on +the open-source data management software [CKAN](https://ckan.org/) and is developed by the +[TIB - Leibniz Information Center for Science and Technology](https://www.tib.eu/en/).