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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 repository is no longer available. >>>!!!>>> Here you will find a collection of atomic microstructures that have been built by the atomic modeling community. Feel free to download any of these and use them in your own scientific explorations.The focus of this cyberinfrastructure is to advance the field of atomic-scale modeling of materials by acting as a forum for disseminating new atomistic scale methodologies, educating non-experts and the next generation of computational materials scientists, and serving as a bridge between the atomistic and complementary (electronic structure, mesoscale) modeling communities.
The Durham High Energy Physics Database (HEPData), formerly: the Durham HEPData Project, has been built up over the past four decades as a unique open-access repository for scattering data from experimental particle physics. It currently comprises the data points from plots and tables related to several thousand publications including those from the Large Hadron Collider (LHC). The Durham HepData Project has for more than 25 years compiled the Reactions Database containing what can be loosly described as cross sections from HEP scattering experiments. The data comprise total and differential cross sections, structure functions, fragmentation functions, distributions of jet measures, polarisations, etc... from a wide range of interactions. In the new HEPData site (hepdata.net), you can explore new functionalities for data providers and data consumers, as well as the submission interface. HEPData is operated by CERN and IPPP at Durham University and is based on the digital library framework Invenio.
AMCSD is an interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals. The database is maintained under the care of the Mineralogical Society of America and the Mineralogical Association of Canada, and financed by the National Science Foundation. You may search by a mineral of your choice, or choose a mineral from a complete list to help aid your research.
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nmrXiv is an open, FAIR and consensus-driven NMR spectroscopy data repository and analysis platform. We archive raw and processed NMR data, providing support for browsing, search, analysis, and dissemination of NMR data worldwide.
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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.
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Plastics are widely used in our economy and each year, at least 350-400 million tons are being produced at a global level. Due to poor recycling and low circular use, tens of millions of tons accumulate annually in marine and terrestrial environments. While it has become obvious that micro and macroplastics contaminate our environments recent research has identified few bacteria and fungi actively degrading plastics by enzymatic reactions. In general these are promiscuous enzymes (hydrolases) acting on low crystaline and mostly low density polymers of PET, ester-based PUR and oligomers of PA. Notably today, no enzymes have been characterized on a biochemical level for polymeric and crystaline PE, ether-based PUR, PS, PVC, PP. While many publications report on plastic degradation often, no convincing biochemical data have been published. Therefore the PAZy database lists exclusively biochemically characterized plastic-active enzymes. Predicted and putative enzymes that were not characterized on a biochemical, functional or structural level are not included in the PAZy database. The entries are manually curated.
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.
The Emissions Database for Global Atmospheric Research (EDGAR) provides independent estimates of the global anthropogenic emissions and emission trends, based on publicly available statistics, for the atmospheric modeling community as well as for policy makers. This scientific independent emission inventory is characterized by a coherent world historical trend from 1970 to year x-3, including emissions of all greenhouse gases, air pollutants and aerosols. Data are presented for all countries, with emissions provided per main source category, and spatially allocated on a 0.1x0.1 grid over the globe.
OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.
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The Yeast Metabolome Database (YMDB) is a manually curated database of small molecule metabolites found in or produced by Saccharomyces cerevisiae (also known as Baker’s yeast and Brewer’s yeast). This database covers metabolites described in textbooks, scientific journals, metabolic reconstructions and other electronic databases.
The EZRC at KIT houses the largest experimental fish facility in Europe with a capacity of more than 300,000 fish. Zebrafish stocks are maintained mostly as frozen sperm. Frequently requested lines are also kept alive as well as a selection of wildtype strains. Several thousand mutations in protein coding genes generated by TILLING in the Stemple lab of the Sanger Centre, Hinxton, UK and lines generated by ENU mutagenesis by the Nüsslein-Volhard lab in addition to transgenic lines and mutants generated by KIT groups or brought in through collaborations. We also accept submissions on an individual basis and ship fish upon request to PIs in Europe and elsewhere. EZRC also provides screening services and technologies such as imaging and high-throughput sequencing. Key areas include automation of embryo handling and automated image acquisition and processing. Our platform also involves the development of novel microscopy techniques (e.g. SPIM, DSLM, robotic macroscope) to permit high-resolution, real-time imaging in 4D. By association with the ComPlat platform, we can support also chemical screens and offer libraries with up to 20,000 compounds in total for external users. As another service to the community the EZRC provides plasmids (cDNAs, transgenes, Talen, Crispr/cas9) maintained by the Helmholtz repository of Bioparts (HERBI) to the scientific community. In addition the fish facility keeps a range of medaka stocks, maintained by the Loosli group.
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.