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Found 15 result(s)
Pubchem contains 3 databases. 1. PubChem BioAssay: The PubChem BioAssay Database contains bioactivity screens of chemical substances described in PubChem Substance. It provides searchable descriptions of each bioassay, including descriptions of the conditions and readouts specific to that screening procedure. 2. PubChem Compound: The PubChem Compound Database contains validated chemical depiction information provided to describe substances in PubChem Substance. Structures stored within PubChem Compounds are pre-clustered and cross-referenced by identity and similarity groups. 3. PubChem Substance. The PubChem Substance Database contains descriptions of samples, from a variety of sources, and links to biological screening results that are available in PubChem BioAssay. If the chemical contents of a sample are known, the description includes links to PubChem Compound.
nmrshiftdb is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license. Please consult the documentation for more detailed information. nmrshiftdb2 is the continuation of the NMRShiftDB project with additional data and bugfixes and changes in the software.
The Magnetics Information Consortium (MagIC) improves research capacity in the Earth and Ocean sciences by maintaining an open community digital data archive for rock magnetic, geomagnetic, archeomagnetic (archaeomagnetic) and paleomagnetic (palaeomagnetic) data. Different parts of the website allow users access to archive, search, visualize, and download these data. MagIC supports the international rock magnetism, geomagnetism, archeomagnetism (archaeomagnetism), and paleomagnetism (palaeomagnetism) research and endeavors to bring data out of private archives, making them accessible to all and (re-)useable for new, creative, collaborative scientific and educational activities. The data in MagIC is used for many types of studies including tectonic plate reconstructions, geomagnetic field models, paleomagnetic field reversal studies, magnetohydrodynamical studies of the Earth's core, magnetostratigraphy, and archeology. MagIC is a domain-specific data repository and directed by PIs who are both producers and consumers of rock, geo, and paleomagnetic data. Funded by NSF since 2003, MagIC forms a major part of https://earthref.org which integrates four independent cyber-initiatives rooted in various parts of the Earth, Ocean and Life sciences and education.
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The NOMAD Repository and Archive stands for open access of scientific materials data. It enables the confirmatory analysis of materials data, their reuse, and repurposing. All data is available in their raw format as produced by the underlying code (Repository) and in a common, machine-processable, and well-defined data format (Archive).
Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing the results of over one million x-ray and neutron diffraction analyses this unique database of accurate 3D structures has become an essential resource to scientists around the world. The CSD records bibliographic, chemical and crystallographic information for:organic molecules, metal-organic compounds whose 3D structures have been determined using X-ray diffraction, neutron diffraction. The CSD records results of: single crystal studies, powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD. The CSD includes crystal structure data arising from: publications in the open literature and Private Communications to the CSD (via direct data deposition). The CSD contains directly deposited data that are not available anywhere else, known as CSD Communications.
The Protein Data Bank (PDB) is an archive of experimentally determined three-dimensional structures of biological macromolecules that serves a global community of researchers, educators, and students. The data contained in the archive include atomic coordinates, crystallographic structure factors and NMR experimental data. Aside from coordinates, each deposition also includes the names of molecules, primary and secondary structure information, sequence database references, where appropriate, and ligand and biological assembly information, details about data collection and structure solution, and bibliographic citations. The Worldwide Protein Data Bank (wwPDB) consists of organizations that act as deposition, data processing and distribution centers for PDB data. Members are: RCSB PDB (USA), PDBe (Europe) and PDBj (Japan), and BMRB (USA). The wwPDB's mission is to maintain a single PDB archive of macromolecular structural data that is freely and publicly available to the global community.
ETH Data Archive is ETH Zurich's long-term preservation solution for digital information such as research data, digitised content, archival records, or images. It serves as the backbone of data curation and for most of its content, it is a “dark archive” without public access. In this capacity, the ETH Data Archive also archives the content of ETH Zurich’s Research Collection which is the primary repository for members of the university and the first point of contact for publication of data at ETH Zurich. All data that was produced in the context of research at the ETH Zurich, can be published and archived in the Research Collection. An automated connection to the ETH Data Archive in the background ensures the medium to long-term preservation of all publications and research data. Direct access to the ETH Data Archive is intended only for customers who need to deposit software source code within the framework of ETH transfer Software Registration. Open Source code packages and other content from legacy workflows can be accessed via ETH Library @ swisscovery (https://library.ethz.ch/en/).
PDBj (Protein Data Bank Japan) provides a centralized PDB archive of macromolecular structures, integrated tools for data retrieval, visualization, and functional characterization. PDBj is supported by JST-NBDC and Osaka University.
The Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC) is a team of researchers, data specialists and computer system developers who are supporting the development of a data management system to store scientific data generated by Gulf of Mexico researchers. The Master Research Agreement between BP and the Gulf of Mexico Alliance that established the Gulf of Mexico Research Initiative (GoMRI) included provisions that all data collected or generated through the agreement must be made available to the public. The Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC) is the vehicle through which GoMRI is fulfilling this requirement. The mission of GRIIDC is to ensure a data and information legacy that promotes continual scientific discovery and public awareness of the Gulf of Mexico Ecosystem.
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SAFER-Data is a web-based interface to the Environmental Data Archive maintained by the Environmental Research Centre (ERC) in the Environmental Protection Agency (EPA) of Ireland, who has responsibilities for a wide range of licensing, enforcement, monitoring and assessment activities associated with environmental protection.
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Macromolecular Xtallography Raw Data Repository (MX-RDR) is a domain-specific digital repository of crystallographic open research data. The use of Repository is open for everyone.