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Found 53 result(s)
Chempound is a new generation repository architecture based on RDF, semantic dictionaries and linked data. It has been developed to hold any type of chemical object expressible in CML and is exemplified by crystallographic experiments and computational chemistry calculations. In both examples, the repository can hold >50k entries which can be searched by SPARQL endpoints and pre-indexing of key fields. The Chempound architecture is general and adaptable to other fields of data-rich science. The Chempound software is hosted at http://bitbucket.org/chempound and is available under the Apache License, Version 2.0
eCrystals - Southampton is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service.
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<<<<!! The database is archived: https://web.archive.org/web/20071012173502/http://moltable.ncl.res.in/index.htm !!>>>> MolTable: An Open Access (Molecule Table) Portal for "Advanced Chemoinformatics Research, Training and Services"
>>>!!!<<< 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.
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>>>!!!<<< 2021-03-19: The repository is no longer available >>>!!!<<< The National Contaminants Information System was begun as part of the Department's Green Plan. The NCIS is a computerized warehouse of information on toxic chemicals in fish, other aquatic life and their habitats. It was built to help manage the growing base of data and information.
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BioChem is an archive of marine biological and chemical data maintained by Fisheries and Oceans Canada (DFO). It holds biological and chemical data that are: from department research initiatives and collected in areas of Canadian interest
The Department of Energy (DOE) Joint Genome Institute (JGI) is a national user facility with massive-scale DNA sequencing and analysis capabilities dedicated to advancing genomics for bioenergy and environmental applications. Beyond generating tens of trillions of DNA bases annually, the Institute develops and maintains data management systems and specialized analytical capabilities to manage and interpret complex genomic data sets, and to enable an expanding community of users around the world to analyze these data in different contexts over the web. The JGI Genome Portal provides a unified access point to all JGI genomic databases and analytical tools. A user can find all DOE JGI sequencing projects and their status, search for and download assemblies and annotations of sequenced genomes, and interactively explore those genomes and compare them with other sequenced microbes, fungi, plants or metagenomes using specialized systems tailored to each particular class of organisms. Databases: Genome Online Database (GOLD), Integrated Microbial Genomes (IGM), MycoCosm, Phytozome
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The National Pollutant Release Inventory (NPRI) is Canada's legislated, publicly accessible inventory of pollutant releases (to air, water and land), disposals and transfers for recycling. It is a key resource for: identifying pollution prevention priorities; supporting the assessment and risk management of chemicals, and air quality modelling; helping develop targeted regulations for reducing releases of toxic substances and air pollutants; encouraging actions to reduce the release of pollutants into the environment; and improving public understanding. The NPRI comprises: Information reported by facilities and published by Environment and Climate Change Canada under the authority of Sections 46 – 50 of the Canadian Environmental Protection Act, 1999 (CEPA 1999); and Comprehensive emission summaries and trends for key air pollutants, based on facility-reported data and emission estimates for other sources such as motor vehicles, residential heating, forest fires and agriculture. For the latest reporting year, 7,708 facilities reported to the NPRI on more than 300 listed substances. Comprehensive air pollutant emission summaries and trends were compiled by Environment and Climate Change Canada for criteria air contaminants (the main pollutants contributing to smog, acid rain and/or poor air quality), selected heavy metals and persistent organic pollutants.
The NADP monitors precipitation chemistry from numerous sites around the United States. The NADP consists of 5 networks: National Trends Network, Mercury Deposition Network, Atmospheric Integrated Research Monitoring Network, Atmospheric Mercury Network, and Ammonia Monitoring Network. Data is provided by each network.
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 Organic Chemistry Portal offers an overview of recent topics, interesting reactions, and information on important chemicals for organic chemists. Searchable index of citations, chemical synthesis and chemical products. We publish 1000 additional citations per year. German version see https://www.organische-chemie.ch/
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coastMap offers campaign data, model analysis and thematic maps predominantly in the Biogeosciences. Spotlights explain in a nutshell important topics of the research conducted for the interested public. The portal offers applications to visualise and download field and laboratory work and to connect the information with interactive maps. Filter functions allow the user to search for general topics like a marine field of interest or single criteria, for example a specific ship campaign or one of 1000 measured parameters.
The primary interaction of low-energy x rays within matter, viz. photoabsorption and coherent scattering, have been described for photon energies outside the absorption threshold regions. These tables are based on a compilation of the available experimental measurements and theoretical calculations. For many elements there is little or no published data and in such cases it was necessary to rely on theoretical calculations and interpolations across Z. In order to improve the accuracy in the future considerably more experimental measurements are needed.
-----<<<<< The repository is no longer available. This record is out-dated. The Matter lab provides the archived database version of 2012 and 2013 at https://www.matter.toronto.edu/basic-content-page/data-download. Data linked from the World Community Grid - The Clean Energy Project see at https://www.worldcommunitygrid.org/research/cep1/overview.do and on fighshare https://figshare.com/articles/dataset/moldata_csv/9640427 >>>>>----- The Clean Energy Project Database (CEPDB) is a massive reference database for organic semiconductors with a particular emphasis on photovoltaic applications. It was created to store and provide access to data from computational as well as experimental studies, on both known and virtual compounds. It is a free and open resource designed to support researchers in the field of organic electronics in their scientific pursuits. The CEPDB was established as part of the Harvard Clean Energy Project (CEP), a virtual high-throughput screening initiative to identify promising new candidates for the next generation of carbon-based solar cell materials.
The Analytical Geomagnetic Data Center of the Trans-Regional INTERMAGNET Segment is operated by the Geophysical Center of the Russian Academy of Sciences (GC RAS). Geomagnetic data are transmitted from observatories and stations located in Russia and near-abroad countries. The Center also provides access to spaceborne data products. The MAGNUS hardware-software system underlies the operation of the Center. Its particular feature is the automated real-time recognition of artificial (anthropogenic) disturbances in incoming data. Being based on fuzzy logic approach, this quality control service facilitates the preparation of the definitive magnetograms from preliminary records carried out by data experts manually. The MAGNUS system also performs on-the-fly multi-criteria estimation of geomagnetic activity using several indicators and provides online tools for modeling electromagnetic parameters in the near-Earth space. The collected geomagnetic data are stored using relational database management system. The geomagnetic database is intended for storing both 1-minute and 1-second data. The results of anthropogenic and natural disturbance recognition are also stored in the database.
NKN is now Research Computing and Data Services (RCDS)! We provide data management support for UI researchers and their regional, national, and international collaborators. This support keeps researchers at the cutting-edge of science and increases our institution's competitiveness for external research grants. Quality data and metadata developed in research projects and curated by RCDS (formerly NKN) is a valuable, long-term asset upon which to develop and build new research and science.
STRENDA DB is a storage and search platform supported by the Beilstein-Institut that incorporates the STRENDA Guidelines in a user-friendly, web-based system. If you are an author who is preparing a manuscript containing functional enzymology data, STRENDA DB provides you the means to ensure that your data sets are complete and valid before you submit them as part of a publication to a journal. Data entered in the STRENDA DB submission form are automatically checked for compliance with the STRENDA Guidelines; users receive warnings informing them when necessary information is missing.
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The public MorpheusML model repository collects, curates, documents and tests computational models for multi-scale and multicellular biological systems. Model must be encoded in the model description language MorpheusML. Subsections of the repository distinguish published models from contributed non-published and example models. New models are simulated in Morpheus or Artistoo independently from the authors and results are compared to published results. Successful reproduction is documented on the model's webpage. Models in this repository are included into the CI and test pipelines for each release of the model simulator Morpheus to check and guarantee reproducibility of results across future simulator updates. The model’s webpage provides a History-link to all past model versions and edits that are automatically tracked via Git. Each model is registered with a unique and persistent ID of the format M..... The model description page (incl. the biological context and key results of that model), the model’s XML file, the associated paper, and all further files (often simulation result videos) connected with that model can be retrieved via a persistent URL of the format https://identifiers.org/morpheus/M..... - for technical details on the citable ModelID please see https://registry.identifiers.org/registry/morpheus - for the model definition standard MorpheusML please see https://doi.org/10.25504/FAIRsharing.78b6a6 - for the model simulator Morpheus please see https://morpheus.gitlab.io - for the model simulator Artistoo please see https://artistoo.net/converter.html