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Found 9 result(s)

Chempound

a Web2.0-inspired repository for physical science data

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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

UK-AIR

Air Information Resource

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These are the UK-AIR (Air Information Resource) webpages providing in-depth information on air quality and air pollution in the UK. A range of information is available, from the latest pollution levels, pollution forecast information, a data archive, and details of the various monitoring networks.

Mechanism and Catalytic Site Atlas

CSA (formerly)

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M-CSA is a database of enzyme reaction mechanisms. It provides annotation on the protein, catalytic residues, cofactors, and the reaction mechanisms of hundreds of enzymes. There are two kinds of entries in M-CSA. 'Detailed mechanism' entries are more complete and show the individual chemical steps of the mechanism as schemes with electron flow arrows. 'Catalytic Site' entries annotate the catalytic residues necessary for the reaction, but do not show the mechanism. The M-CSA (Mechanism and Catalytic Site Atlas) represents a unified resource that combines the data in both MACiE and the CSA

London Datastore

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The London Datastore is an initiative by the Greater London Authority (GLA) to release as much of the data that it holds as possible.

eartH2Observe

Global Earth Observation for Integrated Water Resource Assessment

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EartH2Observe brings together the findings from European FP projects DEWFORA, GLOWASIS, WATCH, GEOWOW and others. It will integrate available global earth observations (EO), in-situ datasets and models and will construct a global water resources re-analysis dataset of significant length (several decades). The resulting data will allow for improved insights on the full extent of available water and existing pressures on global water resources in all parts of the water cycle. The project will support efficient and globally consistent water management and decision making by providing comprehensive multi-scale (regional, continental and global) water resources observations. It will test new EO data sources, extend existing processing algorithms and combine data from multiple satellite missions in order to improve the overall resolution and reliability of EO data included in the re-analysis dataset. The resulting datasets will be made available through an open Water Cycle Integrator data portal https://wci.earth2observe.eu/ : the European contribution to the GEOSS/WCI approach. The datasets will be downscaled for application in case-studies at regional and local levels, and optimized based on identified European and local needs supporting water management and decision making . Actual data access: https://wci.earth2observe.eu/data/group/earth2observe

NERC Data Catalogue Service

Natural Environment Research Council DCS

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The DCS allows you to search a catalogue of metadata (information describing data) to discover and gain access to NERC's data holdings and information products. The metadata are prepared to a common NERC Metadata Standard and are provided to the catalogue by the NERC Data Centres.

UCD Digital Library

An Leabharlann, An Coláiste Ollscoile, Baile Átha Cliath

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The UCD Digital Library is a platform for exploring cultural heritage, engaging with digital scholarship, and accessing research data. The UCD Digital Library allows you to search, browse and explore a growing collection of historical materials, photographs, art, interviews, letters, and other exciting content, that have been digitised and made freely available.

Virgo Millenium Database

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When published in 2005, the Millennium Run was the largest ever simulation of the formation of structure within the ΛCDM cosmology. It uses 10(10) particles to follow the dark matter distribution in a cubic region 500h(−1)Mpc on a side, and has a spatial resolution of 5h−1kpc. Application of simplified modelling techniques to the stored output of this calculation allows the formation and evolution of the ~10(7) galaxies more luminous than the Small Magellanic Cloud to be simulated for a variety of assumptions about the detailed physics involved. As part of the activities of the German Astrophysical Virtual Observatory we have created relational databases to store the detailed assembly histories both of all the haloes and subhaloes resolved by the simulation, and of all the galaxies that form within these structures for two independent models of the galaxy formation physics. We have implemented a Structured Query Language (SQL) server on these databases. This allows easy access to many properties of the galaxies and halos, as well as to the spatial and temporal relations between them. Information is output in table format compatible with standard Virtual Observatory tools. With this announcement (from 1/8/2006) we are making these structures fully accessible to all users. Interested scientists can learn SQL and test queries on a small, openly accessible version of the Millennium Run (with volume 1/512 that of the full simulation). They can then request accounts to run similar queries on the databases for the full simulations. In 2008 and 2012 the simulations were repeated.

ChEMBL

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ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.