NFDI4Chem Search Service
The NFDI4Chem Search Service provides centralized access to overarching datasets and search results from various chemistry and chemistry-related repositories within the NFDI4Chem federation. One can browse through these datasets and optimize your search results by various filter options. The NFDI4Chem Search Service is developed and maintained by TIB - Leibniz Information Centre for Science and Technology. It is part of the service portfolio of the NFDI4Chem consortium within the National Research Data Infrastructure.
The Search Service currently harvests and indexes metadata from the following repositories:
Chemotion - Repository for Molecules and Research Data
The Chemotion - Repository covers research data assigned to molecules, their properties and characterization, as well as reactions and experimental investigations. It is hosted at the Karlsruhe Institute of Technology (KIT) and is used by several groups in Germany and beyond. Scientists in the field of molecular and synthetic chemistry are supported in their efforts to handle data in a FAIR (Findable, Accessible, Interoperable & Reusable) manner. The repository is interoperable with the Chemotion Electronic Lab Notebook (ELN) , which means that data can be transferred from the ELN directly to the repository. Data is curated through automatic checks and a peer review process. The Chemotion repository provides an internal substance register, a spectra viewer (ChemSpectra), a structure editor (Ketcher), and accepts all data types, while only a few of them can be processed and edited in the viewers.
MassBank - High Quality Mass Spectral Database
MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance. The vast majority of MassBank contents now features high-resolution mass spectrometry data, although all kinds of mass spectral data are accepted. A range of search options are available for browsing the data. The MassBank library is based on text file records containing the record metadata and the mass spectral information in the MassBank record format. All data is archived on GitHub and Zenodo; the code is also on GitHub. The MassBank library can be downloaded in different formats such as text records, database files (sql) and MSP files.
MassBank is maintained and developed by the MassBank consortium and is supported by the NORMAN Association , FNR and NFDI4Chem. The main sustainers and developers of MassBank and related tools are the Team of Steffen Neumann (Leibniz Institute of Plant Biochemistry. IPB, Halle/Saale, Germany) , Michael Stravs (Swiss Federal Institute of Aquatic Science and Technology, EAWAG, Dübendorf, Switzerland), Emma Schymanski (Luxembourg Centre for Systems Biomedicine, University of Luxembourg, LCSB, Belvaux, Luxembourg), and Tobias Schulze (Helmholtz Centre for Environmental Research, UFZ, Leipzig, Germany).
RADAR4Chem is a reliable and low-threshold publishing service for chemistry research data based on our established data repository RADAR. With RADAR4Chem, we enable you to publish your digital research data easily, securely, and free of charge. At the same time, we offer the scientific community access to these research data publications according to the FAIR criteria (Findable, Accessible, Interoperable & Reusable). RADAR4Chem thus makes an important contribution to the improved availability, sustainable preservation, and independent publication capability of digital chemistry research data.