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Found 52 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.
eCrystals - Southampton is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service.
>>>!!!<<< The repository is no longer available. >>>!!!<<< Here you will find a collection of atomic microstructures that have been built by the atomic modeling community. Feel free to download any of these and use them in your own scientific explorations.The focus of this cyberinfrastructure is to advance the field of atomic-scale modeling of materials by acting as a forum for disseminating new atomistic scale methodologies, educating non-experts and the next generation of computational materials scientists, and serving as a bridge between the atomistic and complementary (electronic structure, mesoscale) modeling communities.
The Durham High Energy Physics Database (HEPData), formerly: the Durham HEPData Project, has been built up over the past four decades as a unique open-access repository for scattering data from experimental particle physics. It currently comprises the data points from plots and tables related to several thousand publications including those from the Large Hadron Collider (LHC). The Durham HepData Project has for more than 25 years compiled the Reactions Database containing what can be loosly described as cross sections from HEP scattering experiments. The data comprise total and differential cross sections, structure functions, fragmentation functions, distributions of jet measures, polarisations, etc... from a wide range of interactions. In the new HEPData site (hepdata.net), you can explore new functionalities for data providers and data consumers, as well as the submission interface. HEPData is operated by CERN and IPPP at Durham University and is based on the digital library framework Invenio.
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.
The Arizona State University (ASU) Research Data Repository provides a platform for ASU-affiliated researchers to share, preserve, cite, and make research data accessible and discoverable. The ASU Research Data Repository provides a permanent digital identifier for research data, which complies with data sharing policies. The repository is powered by the Dataverse open-source application, developed and used by Harvard University. Both the ASU Research Data Repository and the KEEP Institutional Repository are managed by the ASU Library to ensure research produced at Arizona State University is discoverable and accessible to the global community.
The ZINC Database contains commercially available compounds for structure based virtual screening. It currently has compounds that can simply be purchased. It is provided in ready-to-dock, 3D formats with molecules represented in biologically relevant forms. It is available in subsets for general screening as well as target-, chemotype- and vendor-focused subsets. ZINC is free for everyone to use and download at the website zinc.docking.org.
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FooDB is the world’s largest and most comprehensive resource on food constituents, chemistry and biology. It provides information on both macronutrients and micronutrients, including many of the constituents that give foods their flavor, color, taste, texture and aroma.
The Copernicus Marine Environment Monitoring Service (CMEMS) provides regular and systematic reference information on the physical and biogeochemical state, variability and dynamics of the ocean and marine ecosystems for the global ocean and the European regional seas. The observations and forecasts produced by the service support all marine applications, including: Marine safety; Marine resources; Coastal and marine environment; Weather, seasonal forecasting and climate. For instance, the provision of data on currents, winds and sea ice help to improve ship routing services, offshore operations or search and rescue operations, thus contributing to marine safety. The service also contributes to the protection and the sustainable management of living marine resources in particular for aquaculture, sustainable fisheries management or regional fishery organisations decision-making process. Physical and marine biogeochemical components are useful for water quality monitoring and pollution control. Sea level rise is a key indicator of climate change and helps to assess coastal erosion. Sea surface temperature elevation has direct consequences on marine ecosystems and appearance of tropical cyclones. As a result of this, the service supports a wide range of coastal and marine environment applications. Many of the data delivered by the service (e.g. temperature, salinity, sea level, currents, wind and sea ice) also play a crucial role in the domain of weather, climate and seasonal forecasting.
SCISAT, also known as the Atmospheric Chemistry Experiment (ACE), is a Canadian Space Agency small satellite mission for remote sensing of the Earth's atmosphere using solar occultation. The satellite was launched on 12 August 2003 and continues to function perfectly. The primary mission goal is to improve our understanding of the chemical and dynamical processes that control the distribution of ozone in the stratosphere and upper troposphere, particularly in the Arctic. The high precision and accuracy of solar occultation makes SCISAT useful for monitoring changes in atmospheric composition and the validation of other satellite instruments. The satellite carries two instruments. A high resolution (0.02 cm-¹) infrared Fourier transform spectrometer (FTS) operating from 2 to 13 microns (750-4400 cm-¹) is measuring the vertical distribution of trace gases, particles and temperature. This provides vertical profiles of atmospheric constituents including essentially all of the major species associated with ozone chemistry. Aerosols and clouds are monitored using the extinction of solar radiation at 1.02 and 0.525 microns as measured by two filtered imagers. The vertical resolution of the FTS is about 3-4 km from the cloud tops up to about 150 km. Peter Bernath of the University of Waterloo is the principal investigator. A dual optical spectrograph called MAESTRO (Measurement of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation) covers the 400-1030 nm spectral region and measures primarily ozone, nitrogen dioxide and aerosol/cloud extinction. It has a vertical resolution of about 1-2 km. Tom McElroy of Environment and Climate Change Canada is the principal investigator. ACE data are freely available from the University of Waterloo website. SCISAT was designated an ESA Third Party Mission in 2005. ACE data are freely available through an ESA portal.
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The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The latest release of DrugBank (version 5.1.1, released 2018-07-03) contains 11,881 drug entries including 2,526 approved small molecule drugs, 1,184 approved biotech (protein/peptide) drugs, 129 nutraceuticals and over 5,751 experimental drugs. Additionally, 5,132 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries. Each DrugCard entry contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.
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 main goal of the ECCAD project is to provide scientific and policy users with datasets of surface emissions of atmospheric compounds, and ancillary data, i.e. data required to estimate or quantify surface emissions. The supply of ancillary data - such as maps of population density, maps of fires spots, burnt areas, land cover - could help improve and encourage the development of new emissions datasets. ECCAD offers: Access to global and regional emission inventories and ancillary data, in a standardized format Quick visualization of emission and ancillary data Rationalization of the use of input data in algorithms or emission models Analysis and comparison of emissions datasets and ancillary data Tools for the evaluation of emissions and ancillary data ECCAD is a dynamical and interactive database, providing the most up to date datasets including data used within ongoing projects. Users are welcome to add their own datasets, or have their regional masks included in order to use ECCAD tools.
The ColabFit Exchange is an online resource for the discovery, exploration and submission of datasets for data-driven interatomic potential (DDIP) development for materials science and chemistry applications. ColabFit's goal is to increase the Findability, Accessibility, Interoperability, and Reusability (FAIR) of DDIP data by providing convenient access to well-curated and standardized first-principles and experimental datasets. Content on the ColabFit Exchange is open source and freely available.
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/).
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In the framework of the Collaborative Research Centre/Transregio 32 ‘Patterns in Soil-Vegetation-Atmosphere Systems: Monitoring, Modelling, and Data Assimilation’ (CRC/TR32, www.tr32.de), funded by the German Research Foundation from 2007 to 2018, a RDM system was self-designed and implemented. The so-called CRC/TR32 project database (TR32DB, www.tr32db.de) is operating online since early 2008. The TR32DB handles all data including metadata, which are created by the involved project participants from several institutions (e.g. Universities of Cologne, Bonn, Aachen, and the Research Centre Jülich) and research fields (e.g. soil and plant sciences, hydrology, geography, geophysics, meteorology, remote sensing). The data is resulting from several field measurement campaigns, meteorological monitoring, remote sensing, laboratory studies and modelling approaches. Furthermore, outcomes of the scientists such as publications, conference contributions, PhD reports and corresponding images are collected in the TR32DB.
GWAS Central (previously the Human Genome Variation database of Genotype-to-Phenotype information) is a database of summary level findings from genetic association studies, both large and small. We actively gather datasets from public domain projects, and encourage direct data submission from the community.
The repository is no longer available. <<<!!!<<< CCRIS information is migrated to PubChem (https://www.ncbi.nlm.nih.gov/pcsubstance?term=%22Chemical%20Carcinogenesis%20Research%20Information%20System%20(CCRIS)%22%5BSourceName%5D%20AND%20hasnohold%5Bfilt%5D) Help for CCRIS Users in PubChem: https://www.nlm.nih.gov/toxnet/Accessing_CCRIS_Content_from_PubChem.html or PDF: https://www.nlm.nih.gov/toxnet/Accessing_CCRIS_Content_from_PubChem.pdf. >>>!!!>>>