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Found 19 result(s)
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.
The DOE Data Explorer (DDE) is an information tool to help you locate DOE's collections of data and non-text information and, at the same time, retrieve individual datasets within some of those collections. It includes collection citations prepared by the Office of Scientific and Technical Information, as well as citations for individual datasets submitted from DOE Data Centers and other organizations.
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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.
GlyTouCan is the international glycan structure repository. This repository is a freely available, uncurated registry for glycan structures that assigns globally unique accession numbers to any glycan independent of the level of information provided by the experimental method used to identify the structure(s). Any glycan structure, ranging in resolution from monosaccharide composition to fully defined structures can be registered as long as there are no inconsistencies in the structure.
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.
FAIR & long-term storage of research data from computational materials science, or from experimental materials science that is of relevance to simulations. Complementary tools available to explore the full provenance of the calculations and to perform simulations or data analytics in the cloud.
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.
Database of mass spectra of known, unknown and provisionally identified substances. 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 compounds detected by mass spectrometry.
The purpose of the Dataset Catalogue is to enhance discovery of GNS Science datasets. At a minimum, users will be able to determine whether a dataset on a specific topic exists and then whether it pertains to a specific place and/or a specific date or period. Some datasets include a web link to an online resource. In addition, contact details are provided for the custodian of each dataset as well as conditions of use.
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.
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The CSIRO National Collections and Marine Infrastructure (NCMI) Information and Data Centre has managed marine data for Australia's government research organisation for over 30 years. They have an enduring archive of marine and climate research data, and regularly publish data (including physical, chemical, bathymetric and biological data) collected on board RV Investigator as part of the Marine National Facility. Data from the MNF is freely and publicly available.
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The CNRS Research Data institutional repository offers CNRS scientists and their collaborators a solution for sharing data when there is no thematic or institutional repository adapted to their research field. CNRS Research Data provides a space in which depositors can share and promote data (legally disseminable, completed, documented and reusable) produced or co-produced as part of research work supported by the CNRS.
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RADAR4Chem is a low-threshold and easy-to use service for sustainable publication and preservation of research data from all disciplines of chemistry. It offers free publication for any data type and format according to the FAIR principles, independent of the researcher´s institutional affiliation. Through persistent identifiers (DOI) and a guaranteed retention period of at least 25 years, the research data remain available, citable and findable long-term. Currently, the offer is aimed exclusively at researchers in the field of chemistry at publicly funded research institutions and universities in Germany. No contract is required and no data publication fees are charged. The researchers are responsible for the upload, organisation, annotation and curation of research data as well as the peer-review process (as an optional step) and finally their publication.
SureChemOpen is a free resource for researchers who want to search, view and link to patent chemistry. For end-users with professional search and analysis needs, we offer the fully-featured SureChemPro. For enterprise users, SureChemDirect provides all our patent chemistry via an API or a data feed. The SureChem family of products is built upon the Claims® Global Patent Database, a comprehensive international patent collection provided by IFI Claims®. This state of the art database is normalized and curated to provide unprecedented consistency and quality.
Data products developed and distributed by the National Institute of Standards and Technology span multiple disciplines of research and are widely used in research and development programs by industry and academia. NIST's publicly available data sets showcase its committment to providing accurate, well-curated measurements of physical properties, exemplified by the Standard Reference Data program, as well as its committment to advancing basic research. In accordance with U.S. Government Open Data Policy and the NIST Plan for providing public access to the results of federally funded research data, NIST maintains a publicly accessible listing of available data, the NIST Public Dataset List (json). Additionally, these data are assigned a Digital Object Identifier (DOI) to increase the discovery and access to research output; these DOIs are registered with DataCite and provide globally unique persistent identifiers. The NIST Science Data Portal provides a user-friendly discovery and exploration tool for publically available datasets at NIST. This portal is designed and developed with data.gov Project Open Data standards and principles. The portal software is hosted in the usnistgov github repository.
The Arctic Data Center is the primary data and software repository for the Arctic section of NSF Polar Programs. The Center helps the research community to reproducibly preserve and discover all products of NSF-funded research in the Arctic, including data, metadata, software, documents, and provenance that links these together. The repository is open to contributions from NSF Arctic investigators, and data are released under an open license (CC-BY, CC0, depending on the choice of the contributor). All science, engineering, and education research supported by the NSF Arctic research program are included, such as Natural Sciences (Geoscience, Earth Science, Oceanography, Ecology, Atmospheric Science, Biology, etc.) and Social Sciences (Archeology, Anthropology, Social Science, etc.). Key to the initiative is the partnership between NCEAS at UC Santa Barbara, DataONE, and NOAA’s NCEI, each of which bring critical capabilities to the Center. Infrastructure from the successful NSF-sponsored DataONE federation of data repositories enables data replication to NCEI, providing both offsite and institutional diversity that are critical to long term preservation.