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Found 26 result(s)

MolTable

Molecule table

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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"

European Chemical Biology Database

ECBD

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The European Chemical Biology Database (ECBD) is a prototype database, currently being developed for EU-OPENSCREEN. The purpose of ECBD is to store and integrate screening data from EU-OPENSCREEN partners and contributors.

NIST Ultraviolet Spectrum of Platinum Lamp

Spectrum of Platinum

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In February 1986 the NIST measurements were communicated to appropriate astronomers for use in ground-based testing and calibration programs for the GHRS, and in 1990 the NIST group published the new wavelengths for about 3000 lines in the Supplement Series of the Astrophysical Journal. The full report on the NIST measurements in the form of a complete and detailed atlas of the platinum/neon spectrum presented in this special issue of the Journal of Research of NIST will be highly useful to a wide range of scientists.

Nanomaterial Registry

NanomaterialRegistry

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

PubChem

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Pubchem contains 3 databases. 1. PubChem BioAssay: The PubChem BioAssay Database contains bioactivity screens of chemical substances described in PubChem Substance. It provides searchable descriptions of each bioassay, including descriptions of the conditions and readouts specific to that screening procedure. 2. PubChem Compound: The PubChem Compound Database contains validated chemical depiction information provided to describe substances in PubChem Substance. Structures stored within PubChem Compounds are pre-clustered and cross-referenced by identity and similarity groups. 3. PubChem Substance. The PubChem Substance Database contains descriptions of samples, from a variety of sources, and links to biological screening results that are available in PubChem BioAssay. If the chemical contents of a sample are known, the description includes links to PubChem Compound.

Golm Metabolome Database

GMD

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The Golm Metabolome Database (GMD) facilitates the search for and dissemination of reference mass spectra from biologically active metabolites quantified using gas chromatography (GC) coupled to mass spectrometry (MS)

U.S. Energy Information Administration

EIA

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The U.S. Energy Information Administration (EIA) collects, analyzes, and disseminates independent and impartial energy information to promote sound policymaking, efficient markets, and public understanding of energy and its interaction with the economy and the environment.

DrugBank

Open Data Drug & Drug Target Database

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The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The latest release of DrugBank (version 5.1.1, released 2018-07-03) contains 11,881 drug entries including 2,526 approved small molecule drugs, 1,184 approved biotech (protein/peptide) drugs, 129 nutraceuticals and over 5,751 experimental drugs. Additionally, 5,132 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries. Each DrugCard entry contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein 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.. >>>!!!>>>

X-Ray Database

X-ray interactions with matter

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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 NIST Reference on Constants, Units, and Uncertainty

Values of Fundamental Physical Constants

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This database gives values of the basic constants and conversion factors of physics and chemistry resulting from the 2002 least-squares adjustment of the fundamental physical constants as published by the CODATA Task Group on Fundamental Constants and recommended for international use by CODATA.

ProteomeXchange

PX

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The ProteomeXchange consortium has been set up to provide a single point of submission of MS proteomics data to the main existing proteomics repositories, and to encourage the data exchange between them for optimal data dissemination. Current members accepting submissions are: The PRIDE PRoteomics IDEntifications database at the European Bioinformatics Institute focusing mainly on shotgun mass spectrometry proteomics data PeptideAtlas/PASSEL focusing on SRM/MRM datasets.

ECCAD - the GEIA database

Emissions of atmospheric Compounds & Compilation of Ancillary Data

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The main goal of the ECCAD project is to provide scientific and policy users with datasets of surface emissions of atmospheric compounds, and ancillary data, i.e. data required to estimate or quantify surface emissions. The supply of ancillary data - such as maps of population density, maps of fires spots, burnt areas, land cover - could help improve and encourage the development of new emissions datasets. ECCAD offers: Access to global and regional emission inventories and ancillary data, in a standardized format Quick visualization of emission and ancillary data Rationalization of the use of input data in algorithms or emission models Analysis and comparison of emissions datasets and ancillary data Tools for the evaluation of emissions and ancillary data ECCAD is a dynamical and interactive database, providing the most up to date datasets including data used within ongoing projects. Users are welcome to add their own datasets, or have their regional masks included in order to use ECCAD tools.

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 >>>!!!>>>

Nucleic Acid Database

NDB

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The NDB is a resource for nucleic acid research and education. The NDB assembles and distributes information about the three-dimensional structures of nucleic acids through a variety of resources, including a searchable database, Atlas, and software

Chemical Carcinogenesis Research Information System

CCRIS

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The repository is no longer available. <<<!!!<<< CCRIS information is migrated to PubChem (https://www.ncbi.nlm.nih.gov/pcsubstance?term=%22Chemical%20Carcinogenesis%20Research%20Information%20System%20(CCRIS)%22%5BSourceName%5D%20AND%20hasnohold%5Bfilt%5D) Help for CCRIS Users in PubChem: https://www.nlm.nih.gov/toxnet/Accessing_CCRIS_Content_from_PubChem.html or PDF: https://www.nlm.nih.gov/toxnet/Accessing_CCRIS_Content_from_PubChem.pdf. >>>!!!>>>

EarthChem Library

EarthChem

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>>>!!!<<< duplicate >>>!!!<<< see https://www.re3data.org/repository/r3d100011538

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.

Inorganic Crystal Structure Database

ICSD Web

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The most comprehensive database on fully determined inorganic crystal structures • Full structural data: cell parameters, atom positions for all entries, displacement parameters • Full bibliographic data: publication title, journal reference(s), author names • Full structure description: Structural formula, compositions, ANX formulae, structure types • High-quality data: extensive data evaluation and correction by senior experts • Web and PC based software solutions, data updated twice a year • 25+ years of serving the scientific community

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.

DARECLIMED

Cyprus Institute Data Repository

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DARECLIMED data repository consists of three kind of data: (a) climate, (b) water resources, and (c) energy related data. The first part, climate datasets, will include atmospheric and indirect atmospheric data, proxies and reconstructions, terrestrial and oceanic data. Land use, population, economy and development data will be added as well. Datasets can be handled and analyzed by connecting to the Live Access Server (LAS), which enables to visualize data with on-the-fly graphics, request custom subsets of variables in a choice of file formats, access background reference material about the data (metadata), and compare (difference) variables from distributed locations. Access to server is granted upon request by emailing the data repository manager.

SABIO-RK

System for the Analysis of Biochemical Pathways - Reaction Kinetics

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The SABIO-RK is a web-based application based on the SABIO relational database that contains information about biochemical reactions, their kinetic equations with their parameters, and the experimental conditions under which these parameters were measured. It aims to support modellers in the setting-up of models of biochemical networks, but it is also useful for experimentalists or researchers with interest in biochemical reactions and their kinetics. All the data are manually curated and annotated by biological experts, supported by automated consistency checks.

NIST Atomic Transition Probability Bibliographic Database

Atomic Transition Probabilities Bibliographic Database

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This database contains references to publications that include numerical data, comments, and reviews on atomic transition probabilities (oscillator strengths, line strengths, or radiative lifetimes), and is part of the collection of the NIST Atomic Spectroscopy Data Center http://physics.nist.gov/PhysRefData/datarefs/datarefs_search_form.html

ThermoML

Representation of Published Experimental Data

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ThermoML presents published experimental data extracted from 5 major journals in the field and links to ThermoML files, which represent experimental thermophysical and thermochemical property data reported in the corresponding articles. At the same time ThermoML is an XML-Based IUPAC Standard for Storage and Exchange of Experimental Thermophysical and Thermochemical Property Data.