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Found 11 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

CEPDB

The Harvard Clean Energy Project Database

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-----<<<<< 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.

CrystalEye (beta)

CrystalEye

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<<<!!!<<< Crystaleye has now been excitingly integrated into the Crystallography Open Database at http://www.crystallography.net. http://service.re3data.org/repository/r3d100010213 >>>!!!>>>

Protein Data Bank in Europe

PDBe

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PDBe is the European resource for the collection, organisation and dissemination of data on biological macromolecular structures. In collaboration with the other worldwide Protein Data Bank (wwPDB) partners - the Research Collaboratory for Structural Bioinformatics (RCSB) and BioMagResBank (BMRB) in the USA and the Protein Data Bank of Japan (PDBj) - we work to collate, maintain and provide access to the global repository of macromolecular structure data. We develop tools, services and resources to make structure-related data more accessible to the biomedical community.

ChemSpider

Search and share chemistry

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ChemSpider is a free chemical structure database providing fast access to over 58 million structures, properties and associated information. By integrating and linking compounds from more than 400 data sources, ChemSpider enables researchers to discover the most comprehensive view of freely available chemical data from a single online search. It is owned by the Royal Society of Chemistry. ChemSpider builds on the collected sources by adding additional properties, related information and links back to original data sources. ChemSpider offers text and structure searching to find compounds of interest and provides unique services to improve this data by curation and annotation and to integrate it with users’ applications.

SPECTRa Project

Submission, Preservation and Exposure of Chemistry Teaching and Research Data

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<<<!!!<<< This repository is no longer available. SPECTRa (Submission, Preservation and Exposure of Chemistry Teaching and Research Data) was a collaboration between Cambridge University and Imperial College to research issues in the deposition of chemistry data in Open Access digital repositories. Funded by the JISC (Joint Information Systems Committee) under its Digital Repositories programme, it ran from October 2005 to March 2007. Requirements for and attitudes towards data archiving and open access publication were discovered by interview and survey. This led to the development of a set of Open Source software tools for packaging and submitting X-ray crystallography, NMR spectra and computational chemistry data to DSpace digital repositories. This collection will hold reports, presentations and papers published from the project: https://www.repository.cam.ac.uk/handle/1810/183858 >>>!!!>>>

WorldWideMolecularMatrix

WWMM

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The World Wide Molecular Matrix (WWMM) is an electronic repository for unpublished chemical data. WWMM is an open collection of information of small molecules. The "Matrix" in WWMM is influenced by William Gibson's vision of a cyberinfrastructure where all knowledge is accessible. The WWMM is an experiment to see how far this can be taken for chemical compounds. Although much of the information for a given compound has been Openly published, very little is available in Open electronic collections. The WWMM is aimed at catalysing this approach for chemistry and the current collection is made available under the Budapest Open Archive Initiative (http://www.budapestopenaccessinitiative.org/read).

Apollo

DSpace@Cambridge

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Apollo (previously DSpace@Cambridge) is the University of Cambridge’s Institutional Repository (IR), preserving and providing access to content created by members of the University. The repository stores a range of content and provides different levels of access, but its primary focus is on providing open access to the University’s research publications.

ChEBI

Chemical Entities of Biological Interest

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Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of 'small molecular entities'. The term 'molecular entity' encompasses any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity. The molecular entities in question are either products of nature or synthetic products used to intervene in the processes of living organisms (either deliberately, as for drugs, or unintentionally', as for chemicals in the environment). The qualifier 'small' implies the exclusion of entities directly encoded by the genome, and thus as a rule nucleic acids, proteins and peptides derived from proteins by cleavage are not included.

ChemBio Hub

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The ChemBio Hub vision is to provide the tools that will make it easier for Oxford University scientists to connect with colleagues to improve their research, to satisfy funders that the data they have paid for is being managed according to their policies, and to make new alliances with pharma and biotech partners. Funding and development of the ChemBio Hub was ending on the 30th June 2016. Please be reassured that the ChemBio Hub system and all your data will continue to be secured on the SGC servers for the foreseeable future. You can continue to use the services as normal.

PRoteomics IDEntifications Database

PRIDE

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The PRIDE PRoteomics IDEntifications database is a centralized, standards compliant, public data repository for proteomics data, including protein and peptide identifications, post-translational modifications and supporting spectral evidence. PRIDE encourages and welcomes direct user submissions of mass spectrometry data to be published in peer-reviewed publications.