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Found 15 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

Kikapu

University of the Western Cape Institutional Research Data Respository

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The University of the Western Cape (UWC) uses Figshare for Institutions for their institutional research data repository. It is called Kikapu, and serves as a repository for storing and disseminating research data.

Environmental data explorer

EDE

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<<<!!!<<< This repository is no longer available. Resource Unavailable The requested url (http://geodata.grid.unep.ch/) no longer exists, please contact info@unepgrid.ch for further information.. >>>!!!>>>

Edinburgh DataShare

DataShare

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Edinburgh DataShare is a digital repository of research data produced at the University of Edinburgh, hosted by the Research Data Service in Information Services. Edinburgh University researchers who have produced research data associated with an existing or forthcoming publication, or which has potential use for other researchers, are invited to upload their dataset for sharing and safekeeping. A persistent identifier and suggested citation will be provided.

chemotion

Repository for molecules and research data

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Chemotion-repository is a repository for the publication, re-use and archiving of research data in the domain of chemistry. It is suitable for molecules, reactions, and associated data. It stores original data in diverse file-formats including standard file types and as well as descriptions, metadata, and ontologies. The repository is open to all researchers worldwide.

CyberCell Database

CCDB

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<<<!!!<<<This repository is no longer available>>>!!!>>>

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 >>>!!!>>>

IPB MassBank

IPB MS Database

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MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical comounds detected by mass spectrometry.MassBank system is originally designed for public sharing of reference mass spectra for metabolite identification. It is also useful for their in-house or local sharing. Recently it finds another application; sharing mass spectra of unknown metabolites for metabolite profiling. The IPB is operating the first european MassBank site, that is part of the consortial MassBank Project. You can access both the set of IPB Tandem-MS and Ion Trap spectra, as well as the other massbank sites.

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.

Ecological Archives

esa's ecological archives

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>>>!!!<<< Ecological Archives through the end of 2015 will be hosted on FigShare once the transition to publishing with Wiley is completed. Thereafter, supplemental material may be hosted on Wiley Online, and/or data deposited with FigShare, Dryad, and other repositories. >>>!!!<<< Ecological Archives publishes materials that are supplemental to articles that appear in the ESA journals (Ecology, Ecological Applications, Ecological Monographs, Ecosphere, Ecosystem Health and Sustainability and Bulletin of the Ecological Society of America), as well as peer-reviewed data papers with abstracts published in the printed journals. Three kinds of publications appear in Ecological Archives: appendices, supplements, and data papers.

PSnpBind

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PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine learning algorithms to predict protein–ligand affinity or mutation's effect on it which requires an extensive amount of data with a wide coverage of mutation types and small molecules. Also, studies of protein-ligand interactions and conformer orientation changes across different mutated versions of a protein can be established using data from PSnpBind.

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.

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.

INFRA-ART Spectral Library

INFRA-ART Spectral Database

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The INFRA-ART Spectral Library is an open-access integrated spectral library of artist paint materials that was designed as a digital support tool for research specialists and other heritage-related professionals that work with non- or minimally invasive spectroscopic techniques.

Repozytorium Uniwersytetu Przyrodniczego we Wrocławiu

Repository of Wrocław University of Environmental and Life Sciences

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Base of Knowledge Wrocław University of Environmental and Life Sciences / Research Data Repository is an institutional open research data repository, offering the possibility to deposit datasets (as well as publications) created by researchers, PhD candidates and students of Wrocław University of Environmental and Life Sciences. It is intended for scientific data from the disciplines related to the University’s profile. It is a platform where research data can be safely collected, stored and openly shared with others, obtaining a permanent Digital Object Identifier (DOI) for each dataset and choosing a data usage license. Research Data Repository applies the FAIR Principles (data is findable, accessible, interoperable and reusable).