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Found 61 result(s)

SCRIPDB

Syntheses, Chemicals, and Reactions In Patents

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SCRIPDB is a chemical structure database designed to make patent metadata accessible. We index public-domain chemical information contained in U.S. patents, and provide the full patent text, reactions, and relationships described within any individual patent, as well as the original CDX, MOL, and TIFF files.

Atmospheric Chemistry Experiment

ACE

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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.

RCSB Protein Data Bank

RCSB PDB

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The Protein Data Bank (PDB) archive is the single worldwide repository of information about the 3D structures of large biological molecules, including proteins and nucleic acids. These are the molecules of life that are found in all organisms including bacteria, yeast, plants, flies, other animals, and humans. Understanding the shape of a molecule helps to understand how it works. This knowledge can be used to help deduce a structure's role in human health and disease, and in drug development. The structures in the archive range from tiny proteins and bits of DNA to complex molecular machines like the ribosome.

The Cambridge Structural Database

CSD

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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.

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

Electron-Impact Excitation of Multicharged Ions using MEIBEL

Electron-Impact Excitation of Multicharged Ions using Merged Electron-Ion Beams Energy Loss

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>>>!!!<<< 2019-12-04: The repository is no longer available >>>!!!<<< Presented here are excitation cross sections measured for a select number of transitions using the Merged Electron-Ion Beams Energy Loss (MEIBEL) experiment. This is a collaboration of JILA and the Multicharged Ion Research Facility (MIRF) at Oak Ridge National Laboratory (ORNL), where the apparatus is located. Since there exist a nearly infinite number of transitions in multicharged ions we have chosen a few that serve as benchmarks for theoretical efforts. Of particular interest are forbidden transitions which are often dominated by dielectronic resonances whose positions and magnitudes are difficult to predict theoretically.

Evaluated Nuclear Data File

ENDF

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Core nuclear reaction database contain recommended, evaluated cross sections, spectra, angular distributions, fission product yields, photo-atomic and thermal scattering law data, with emphasis on neutron induced reactions. The data were analyzed by experienced nuclear physicists to produce recommended libraries for one of the national nuclear data projects (USA, Europe, Japan, Russia and China). All data are stored in the internationally-adopted ENDF-6 format maintained by CSEWG.

Harvard Medical School, Library of Integrated Network-Based Cellular Signatures Database

HMS, LINCS database

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The Database contains all publicly available HMS LINCS datasets and information for each dataset about experimental reagents (small molecule perturbagens, cells, antibodies, and proteins) and experimental and data analysis protocols.

NIST XCOM

XCOM

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A web database is provided which can be used to calculate photon cross sections for scattering, photoelectric absorption and pair production, as well as total attenuation coefficients, for any element, compound or mixture (Z ≤ 100), at energies from 1 keV to 100 GeV.

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.

INPTDAT

The Data Platform for Plasma Technology

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The interdisciplinary data platform INPTDAT provides easy access to research data and information from all fields of applied plasma physics and plasma medicine. It aims to support the findability, accessibility, interoperability and re-use of data for the low-temperature plasma physics community.

eData: the STFC Research Data Repository

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eData is an institutional repository where STFC staff can deposit data and software that underpin journal articles and other published research.

Nuclear Data Services

NDS

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Nuclear Data Services contains atomic, molecular and nuclear data sets for the development and maintenance of nuclear technologies. It includes energy-dependent reaction probabilities (cross sections), the energy and angular distributions of reaction products for many combinations of target and projectile, and the atomic and nuclear properties of excited states, and their radioactive decay data. Their main concern is providing data required to design a modern nuclear reactor for electricity production. Approximately 11.5 million nuclear data points have been measured and compiled into computerized form.

Thermochemical Database

TDB Project

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The TDB project aims to produce a database that: contains data for all the elements of interest in radioactive waste disposal systems; documents why and how the data were selected; gives recommendations based on original experimental data, rather than compilations and estimates; documents the sources of experimental data used; is internally consistent; and treats all solids and aqueous species of the elements of interest for nuclear waste storage performance assessment calculations. The database compiles formation data (Gibbs energies, enthalpies, entropies and heat capacities) for each aqueous species and solid phase of interest, as well as chemical reactions and their corresponding thermodynamic data. Non thermodynamic data (diffusion or kinetics) and sorption data are not considered in the TDB project.

NCBI BioSystems Database

NCBI BioSystems

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<<<!!!<<< The NCBI BioSystems Database will be retired in March 2022. >>>!!!>>> This retirement includes the representation of BioSystems records in the NCBI Entrez system and viewers of BioSystems content. NCBI now provides metabolic pathway and other biosystems data through the regularly updated PubChem Pathways resource (https://pubchemdocs.ncbi.nlm.nih.gov/pathways) that offers a fresh, extended, and more modern interface.

National Nuclear Data Center

NNDC

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The National Nuclear Data Center (NNDC) collects, evaluates, and disseminates nuclear physics data for basic nuclear research and applied nuclear technologies. The NNDC is a worldwide resource for nuclear data. The information available to the users of NNDC services is the product of the combined efforts of the NNDC and cooperating data centers and other interested groups, both in the United States and worldwide. The NNDC specializes in the following areas: - Nuclear structure and low-energy nuclear reactions - Nuclear databases and information technology - Nuclear data compilation and evaluation

Metlin

The original and most comprehensive MS/MS metabolite database

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METLIN represents the largest MS/MS collection of data with the database generated at multiple collision energies and in positive and negative ionization modes. The data is generated on multiple instrument types including SCIEX, Agilent, Bruker and Waters QTOF mass spectrometers.

Atomic and Molecular Data Research Center

AMDRC

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>>> --- !!!! Attention: Obviously the institute does not exist any more. The links do not work anymore. !!!! --- <<< Our center is devoted to: Collection, compilation, evaluation, and dissemination of scientific information required for fusion research, and Investigation of problems arising in the course of development of fusion research. There are atomic and molecular (A & M) numerical databases and bibliographic databases on plasma physics and atomic physics.

Morph·D·Base

MorphDBase

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Morph·D·Base has been developed to serve scientific research and education. It provides a platform for storing the detailed documentation of all material, methods, procedures, and concepts applied, together with the specific parameters, values, techniques, and instruments used during morphological data production. In other words, it's purpose is to provide a publicly available resource for recording and documenting morphological metadata. Moreover, it is also a repository for different types of media files that can be uploaded in order to serve as support and empirical substantiation of the results of morphological investigations. Our long-term perspective with Morph·D·Base is to provide an instrument that will enable a highly formalized and standardized way of generating morphological descriptions using a morphological ontology that will be based on the web ontology language (OWL - http://www.w3.org/TR/owl-features/). This, however, represents a project that is still in development.

Plasma Physics Data Center

Centre de Données de la Physique de Plasma

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The CDPP is the French national data centre for natural plasmas of the solar system. The CDPP assures the long term preservation of data obtained primarily from instruments built using French resources, and renders them readily accessible and exploitable by the international community. The CDPP also provides services to enable on-line data analysis (AMDA), 3D data visualization in context (3DView), and a propagation tool which bridges solar perturbations to in-situ measurements. The CDPP is involved in the development of interoperability, participates in several Virtual Observatory projects, and supports data distribution for scientific missions (Solar Orbiter, JUICE).

Paris Astronomical Data Centre

PADC

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Paris Astronomical Data Centre aims at providing VO access to its data collections, at participating to international standards developments, at implementing VO compliant simulation codes, data visualization and analysis software. This centre hosts high level permanent activities for tools and data distribution under the format of reference services. These sustainable services are recognized at the national level as CNRS labeled services. The various activities are organised as portals whose functions are to provide visibility and information on the projects and to encourage collaboration.

OPEN-ADAS

Atomic data and analysis structure

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The ADAS Project is a self-funding (i.e. funded by participants) project consisting of most major fusion laboratories along with other astrophysical and university groups. As an implementation, it is an interconnected set of computer codes and data collections for modelling the radiating properties of ions and atoms in plasmas. It can address plasmas ranging from the interstellar medium through the solar atmosphere and laboratory thermonuclear fusion devices to technological plasmas. ADAS assists in the analysis and interpretation of spectral emission and supports detailed plasma models.

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.

Karlsruhe Astrophysical Database of Nucleosynthesis in Stars

KADoNIS

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KADoNiS-p database: The KADoNiS project is an online database for cross sections relevant to the s-process and p-process (γ-process). The present p-process library includes all available experimental data from (p,γ), (p,n), (α,γ), (α,n), and (α,p) reactions between 70Ge and 209Bi in or close to the respective Gamow window.

Measurements Of Pollution In The Troposphere

MOPITT

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Measurements Of Pollution In The Troposphere (MOPITT) was launched into sun-synchronous polar orbit on December 18, 1999, aboard TERRA, a NASA satellite orbiting 705 km above the Earth. MOPITT monitors changes in pollution patterns and the effects on Earth’s troposphere. MOPITT uses near-infrared radiation at 2.3 µm and thermal-infrared radiation at 4.7 µm to calculate atmospheric profiles of CO.