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Found 122 result(s)
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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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).
Citrination is the premier open database and analytics platform for the world's material and chemical information. Here you can find tabulated materials property data, that users have contributed or Citrine has automatically extracted from literature.
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The UWA Profiles and Research Repository contains research publications, research datasets, theses, equipment, grants and activities created by researchers and postgraduates affiliated with the University of Western Australia (UWA). It is managed by the University Library and provides access to research datasets held at UWA. The information about each dataset has been provided by UWA research groups. Dataset metadata is harvested into Research Data Australia (RDA) https://researchdata.edu.au/.
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Standard, reference material is used for measurement process control and reliability evaluation of measurement results, and plays a key role in important fields such as food safety, international and domestic trade, medicine and health, and environmental monitoring. In order to realize the efficient use and sharing of reference material resources in the whole society, the Institute of Chemistry of China Institute of Metrology (formerly the National Reference Material Research Center), with the support of the Ministry of Science and Technology, launched the "National Reference Material Information Service" at the end of 2003.
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CHERRY, ie CHEmistry RepositoRY is a joint digital repository of the all departments in University of Belgrade - Faculty of Chemistry. CHERRY provides open access to the publications, as well as to other outputs of the research projects implemented in this institution. The software platform meets the current requirements that apply to the dissemination of scholarly publications and it is compatible with relevant international infrastructures.
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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nmrXiv is an open, FAIR and consensus-driven NMR spectroscopy data repository and analysis platform. We archive raw and processed NMR data, providing support for browsing, search, analysis, and dissemination of NMR data worldwide.
RADAR service offers the ability to search for research data descriptions of the Natural Resources Institute Finland (Luke). The service includes descriptions of research data for agriculture, forestry and food sectors, game management, fisheries and environment. The public web service aims to facilitate discovering subjects of natural resources studies. In addition to Luke's research data descriptions one can search metadata of the Finnish Environment Institute (SYKE). The interface between Luke and SYKE metadata services combines Luke's research data descriptions and SYKE's descriptions of spatial datasets and data systems into a unified search service.
This centre receives and archives precipitation chemistry data and complementary information from stations around the world. Data archived by this centre are accessible via connections with the WDCPC database. Freely available data from regional and national programmes with their own Web sites are accessible via links to these sites. The WDCPC is one of six World Data Centres in the World Meteorological Organization Global Atmosphere Watch (GAW). The focus on precipitation chemistry is described in the GAW Precipitation Chemistry Programme. Guidance on all aspects of collecting precipitation for chemical analysis is provided in the Manual for the GAW Precipitation Chemistry Programme (WMO-GAW Report No. 160).
CERIC Data Portal allows users to consult and manage data related to experiments carried out at CERIC (Central European Research Infrastructure Consortium) partner facilities. Data made available includes scientific datasets collected during experiments, experiment proposals, samples used and publications if any. Users can search for data based on related metadata (both their own data and other peoples' public data).
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Swedish National Data Service (SND) is a research data infrastructure designed to assist researchers in preserving, maintaining, and disseminating research data in a secure and sustainable manner. The SND Search function makes it easy to find, use, and cite research data from a variety of scientific disciplines. Together with an extensive network of almost 40 Swedish higher education institutions and other research organisations, SND works for increased access to research data, nationally as well as internationally.
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.
FactSage is a fully integrated Canadian thermochemical database system which couples proven software with self-consistent critically assessed thermodynamic data. It currently contains data on over 5000 chemical substances as well as solution databases representing over 1000 non-ideal multicomponent solutions (oxides, salts, sulfides, alloys, aqueous, etc.). FactSage is available for use with Windows.
The British Geological Survey (BGS), the world’s oldest national geological survey, has over 400 datasets including environmental monitoring data, digital databases, physical collections (borehole core, rocks, minerals and fossils), records and archives.
-----<<<<< 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.