NFDI4Chem Repo

book/contributions/jh_cbm_nfdi4chem_Repo/nfdi4chem_repo.md

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+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/).