maximum of two exponential random variables

The Taxonomy Database is a curated classification and nomenclature for all of the organisms in the public sequence databases. PubMed PMC legacy view The aim of this study was to evaluate the skin permeability and toxicological profiles of four chromium species. Following exposure and absorption, DnOP is metabolized to its hydrolytic monoester, mono-n-octyl phthalate (MnOP), and other oxidative products. PubChem. If a search against the Substance database returns a single substance, the Substance Summary page for that substance is displayed, which shows information provided by the data contributor for that record. The PubChem chemical structure sketcher. SMILES. As shown in Figure Figure6,6, the PubChemRDF exposes a number of semantic relationships among compounds, substances, synonyms, bioassays, endpoints, proteins, genes, biosystems and so on. Summary: No published information is available on the clinical use of oil of lemon eucalyptus (para-menthanediol) during breastfeeding. One can also manually draw a query chemical structure using the PubChem Chemical Structure Sketcher (https://pubchem.ncbi.nlm.nih.gov/edit/) (30). Ihlenfeldt W.D., Bolton E.E., Bryant S.H. Betulinic acid induces apoptosis through induction of changes in mitochondrial membrane potential, production of reactive oxygen species, and opening of mitochondrial The NCBI houses a series of databases relevant to biotechnology and biomedicine and is an important resource for bioinformatics tools and services. Input sequences to the BLAST are mostly in FASTA or GenBank format while output could be delivered in a variety of formats such as HTML, XML formatting, and plain text. The NCBI has software tools that are available through internet browsers or by FTP. Optional filters may be applied to limit the search result, based on various properties, such as molecular weight, heavy atom count, presence or absence of stereochemistry, depositor name or category and so on. Weininger D. SMILES, a chemical language and information system. Kim S., Bolton E.E., Bryant S.H. Therefore, it is necessary to provide updated information on these databases. Alternatively, they may be provided by using Entrez history, which stores a list of CIDs or SIDs returned from a previous Entrez search. New Window. PUG-SOAP provides an easier programmatic access route to much of the same functionality as PUG. Taxonomy: 6 Records: Gene: 542 Records: PubChem. This allows substance records from different data sources about the same molecule to be aggregated through a common compound record in the Compound database. It is approved and funded by the government of the United States.The NCBI is located in Bethesda, Maryland, and was founded in 1988 through legislation sponsored by US Congressman Claude Pepper. Phenol red is 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. GEO DataSets and GEO Profiles Therefore, the descriptions of biological experiments on chemical substances are stored in a separate database called the BioAssay database (https://www.ncbi.nlm.nih.gov/pcassay). Dalby A., Nourse J.G., Hounshell W.D., Gushurst A.K.I., Grier D.L., Leland B.A., Laufer J. For a structure with stereocenters, their configurations will be annotated as clockwise or counterclockwise for atom stereocenters, or as cis or trans for bond stereocenters. GEO DataSets and GEO Profiles Dioctyl phthalate The PubChemRDF data are also programmatically accessible through a REST-full interface. Allura Red AC term [field] OPERATOR term [field] Citations may include links to full text content from PubMed Central and publisher web sites. A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. Ostell J. Gene Ontology (GO) GOGO term Molecular Function [4] GenBank coordinates with individual laboratories and other sequence databases, such as those of the European Molecular Biology Laboratory (EMBL) and the DNA Data Bank of Japan (DDBJ). The Bookshelf covers a wide range of topics including molecular biology, biochemistry, cell biology, genetics, microbiology, disease states from a molecular and cellular point of view, research methods, and virology. Wang Y.L., Suzek T., Zhang J., Wang J.Y., He S.Q., Cheng T.J., Shoemaker B.A., Gindulyte A., Bryant S.H. Germacrene D The site is secure. PubChemRDF (https://pubchem.ncbi.nlm.nih.gov/rdf/) (35) encodes PubChem's data using the Resource Description Framework (RDF) (http://www.w3.org/RDF/), which is a core part of Semantic Web standards. The Advanced Search and Limits pages, linked at the head of the GEO DataSets and GEO Profiles pages, PubChem3D: similar conformers. Nickel (II) ion Willighagen E.L., Waagmeester A., Spjuth O., Ansell P., Williams A.J., Tkachenko V., Hastings J., Chen B., Wild D.J. If the configuration of a stereocenter cannot be resolved, it is annotated as undefined. New Window. For this reason, PubChem provides the standardization service (https://pubchem.ncbi.nlm.nih.gov/standardize), which allows one to see how their structures would be handled during the standardization process. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. As with these other databases, data of interest may be located simply by entering keywords into the Accessibility Other barbiturate effects in the CNS may In addition to text-based search through Entrez, PubChem also enables users to perform various non-textual searches (such as identity search, molecular formula search, substructure/superstructure search, 2-D and 3-D similarity searches) using the Chemical Structure Search tool. Simply by selecting one of the three PubChem database from the global query result page, one can see the query result specific to that database. network of Entrez databases. Although this service itself can process only a single structure at a time, one may process multiple structures by submitting multiple Standardization service requests programmatically through the Power User Gateway (PUG), PUG-SOAP or PUG-REST (21) (discussed later in the Programmatic Access section). Intramural Research Program of the National Library of Medicine, National Institutes of Health (in part). Agarwala R., Barrett T., Beck J., Benson D.A., Bollin C., Bolton E., Bourexis D., Brister J.R., Bryant S.H., Canese K., et al. The NCBI is located in Bethesda, Maryland, and was founded in 1988 through legislation sponsored by US Congressman Claude Pepper. A Gaussian description of molecular shape. Database resources of the National Center for Biotechnology Information. Description of several chemical-structure file formats used by computer-programs developed at Molecular Design Limited. A portal to gene-specific content based on NCBI's RefSeq project, information from model organism databases, and links to other resources.
Gene Ontology (GO) terms or identifiers "cell adhesion"[GO] 10030[GO] genes with short variants of medical interest "clinvar gene specific"[Filter] A Gaussian description of molecular shape (vol 99, pg 3505, 1995). Connect with NLM. For large and/or frequent data uploads, PubChem supports File Transfer Protocol (FTP)-based depositions using a private FTP account, which enables completely automated data upload into PubChem. GEO DataSets The 3-D similarity search is implemented as part of the PubChem3D project (https://pubchem.ncbi.nlm.nih.gov/release3d.html), which is discussed later in the PubChem3D section. Introduction to methodology and encoding rules. Summary: No published information is available on the clinical use of oil of lemon eucalyptus (para-menthanediol) during breastfeeding. Weininger D. SMILES. Methylcyclohexane Following absorption, potassium citrate causes increased plasma bicarbonate concentration, thereby raising blood and urinary pH. Unique chemical structures are extracted from the Substance database and stored in the Compound database (https://www.ncbi.nlm.nih.gov/pccompound). Orlistat is indicated for obesity management including weight loss and weight maintenance when used in combination with calorie reduction in overweight and obese adults; this indication applies to both the prescription formulation of 120 mg and the over the counter formulation of 60 mg. Orlistat in the 120 mg prescription formulation is also indicated to reduce the risk for weight [13], Database branch of the US National Library of Medicine, "NCBI" redirects here. The Chemical Structure Search tool allows users to narrow a search to the result from a previous Entrez or chemical structure search or to the set of CIDs uploaded in a file. In addition, PubChem provides its data in RDF to facilitate data sharing, analysis and integration with other databases. DrugBank 4.0: shedding new light on drug metabolism. xiaojikuaipao As of September 2015, it has more than 157 million depositor-provided chemical substance descriptions, 60 million unique chemical structures and 1 million biological assay descriptions, covering about 10 thousand unique protein target sequences. SID, CID and AID are the identifiers for the Substance, Compound and BioAssay databases, respectively. Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided If the standardized structure is a mixture with multiple covalent units, unique covalent structures are isolated and reprocessed using the procedures described above. Triton X-100 The urinary levels of one of these "Database resources of the National Center for Biotechnology Information". Nucleic Acids Research 41 (Database issue): D8D20. To construct a complex query, specify the search terms, their fields, and the Boolean operations In addition, it contains import and export features such as support for chemical structure files. Find any record that contains the word 'cancer', Contributors or authors associated with the study, free text, wildcard (*) supported, author initials are optional, Find all studies that examine gene expression by high throughput sequencing, Text provided in the DataSet, Series or Sample description, summary and other metadata fields, Find studies that contain smoking-related terms in their descriptions, fixed list, use gds (DataSet), gse (Series) or gpl (Platform), Filters for records that have links to other NCBI databases, valid DataSet (GDS), Platform (GPL), Sample (GSM) or Series (GSE) accession, Find all studies performed on Platform GPL570, Find records that have MeSH term methylation, Find Platforms that have over 1 million probes, Number of Samples in the DataSet or Series, Find studies with between 100 and 500 samples, Find all studies performed with next-generation sequencing technology, fixed list, use roadmap epigenomics, encode, pilot encode, or modencode, Find studies in the NIH Roadmap Epigenomics project, Find studies published between January and June 2007, Retrieves the Plaform(s) for a specified DataSet or Series, valid DataSet (GDS) or Series (GSE) accession, Retrieves the Series for a specified DataSet or Platform, valid DataSet (GDS) or Platform (GPL) accession, GEID, seqacc, clone, orf, unigene, Gene Identifier, Name or identifier of Platform probe; pertains only to Platforms that have been subjected to re-annotation pipeline, Find DataSets that include a probe corresponding to Arg1, The source of the biological material of the Sample; warning: submitter-supplied field, not curated, Sample value type; pertains only to curated DataSets, Find DataSets with log ratio sample values, Institute or organization as given in submitter account, Find data submitted by the Broad Institute, Find DataSets that include the term 'male' in subset description, Find DataSets that have 'age' as an experimental variable, Find studies that have Affymetrix CEL files, Text from titles of DataSets, Series, Platforms, and Samples, Find records where 'Affymetrix' appears in a title, Find P450 genes in DataSets that investigate smoking, fixed list, use gene, nucleotide, unigene or protein, integer, range function supported, must be used in conjuction with Chromosome field, Find profiles that lie between base positions 10000 to 3000000 on chromosome 8 in mouse, Find profiles that have links to NCBI's Gene database, Find profiles that exhibit subset effects with respect to age or development stage, Find profiles that exhibit rank subset effects, Find profiles for Datasets that investigate muscular dystrophy, Text provided in the DataSet or Series description, title and other metadata fields, Find profiles from studies that examine aspirin, Find profiles for GenBank Identifier 89145416. 6 Chemical Vendors. Especially, considering that the bioactivity data in PubChem are collected from many different data sources, these data would have a very limited use unless detailed information on experimental protocols is provided together with the data. The first step begins with checking the validity of the depositor-provided chemical structure, by verifying the atomic number and isotope for each atom. PubChem Upload offers an expanded ability to edit data directly in the browser. Major databases include GenBank for DNA sequences and PubMed, a bibliographic database for biomedical literature. Eugenol PubChem3D: biologically relevant 3-D similarity. Hawkins P.C.D., Skillman A.G., Nicholls A. & Bryant S H. (2014). Triton X-100 Help. Contributors can specify a hold-until date, until which the contributed data will not be visible to the public. To address this issue, PubChem extracts unique chemical structures from the Substance database through a process called standardization (see Standardization section) and stores them in the Compound database (https://www.ncbi.nlm.nih.gov/pccompound). The Each query you have performed recently is assigned a specific number which can be included within the search statement. Methylcyclohexane Federal government websites often end in .gov or .mil. Potassium Citrate is the potassium salt form of citrate with alkalinizing property. PubChem3D is an extension to PubChem data, which provides users with 3-D alternatives to existing 2-D similarity-based tools and services. Bolton E.E., Kim S., Bryant S.H. It also gives a brief description of PubChem3D, a resource derived from theoretical three-dimensional structures of compounds in PubChem, as well as PubChemRDF, Resource Description Framework (RDF)-formatted PubChem data for data sharing, analysis and integration with information contained in other databases. Grant J.A., Pickup B.T. Alternatively, PubChemRDF data can also be loaded into RDF-aware graph databases such as Neo4j, and the graph traversal algorithms can be used to query the PubChem knowledge graphs. It is a divalent metal cation, a metal cation allergen, a nickel cation and a monoatomic dication. Levels of urinary citrate are PubChem continues to adapt, developing new tools and services to exploit ever-advancing technologies. Kim S., Han L., Yu B., Hhnke V.D., Bolton E.E., Bryant S.H. National Library of Medicine 8600 Rockville Pike Bethesda, MD 20894. The Substance database (https://www.ncbi.nlm.nih.gov/pcsubstance) stores depositor-contributed information. One can search the PubChem databases through Entrez by initiating a search from the PubChem home page (https://pubchem.ncbi.nlm.nih.gov), which also provides launch points to various PubChem services, tools, help documents and more. Kinjo A.R., Suzuki H., Yamashita R., Ikegawa Y., Kudou T., Igarashi R., Kengaku Y., Cho H., Standley D.M., Nakagawa A., et al. PubChem3D: conformer ensemble accuracy. National Center for Biotechnology Information In 2-D similarity search, the similarity between chemical structures is quantified using the Tanimoto equation (2224) in conjunction with the PubChem substructure fingerprint (ftp://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.pdf). Kim S., Bolton E.E., Bryant S.H. official website and that any information you provide is encrypted PubChem Upload allows contributors to create private Uniform Resource Locators (URLs) to the on-hold data. PubChem standardization process in which unique chemical structures are extracted from the Substance database and stored in the Compound database. The files may be optionally compressed in standard gzip (.gz) or bzip2 (.bz2) formats. New Window. Bento A.P., Gaulton A., Hersey A., Bellis L.J., Chambers J., Davies M., Kruger F.A., Light Y., Mak L., McGlinchey S., et al. PubChem Upload provides an automated suite of validation checks that help contributors identify potential issues before the data are made public. As opportunities arise, PubChem will continue to improve the breadth and depth of data. All terms from all searchable fields. GEO DataSets and GEO Profiles are part of NCBI's network of Entrez databases.As with these other databases, data of interest may be located simply by entering keywords into the GEO DataSets or GEO Profiles search boxes. Funding for open access charge: Intramural Research Program of the National Library of Medicine, National Institutes of Health. This XML file can also serve as an example for constructing queries for the PUG interface, which is described later. GHS Hazard Statements: H302 (84.77%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (37.93%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (52.01%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (38.79%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H400 (11.78%): Very toxic to aquatic life Barbiturate is a class of drugs characterized as central nervous system (CNS) depressants. While suitable for low-level programmatic access to PubChem, PUG exchanges data through a complex XML schema that could require some expertise to use. This currently represents about 10% of the described species of life on the planet. The supported file formats for substance deposition are Structure-Data file (SDF) (11) and Comma Separated Values (CSV). is the Boolean operator ('AND', 'OR', 'NOT' must be capitalized). Bolton E.E., Kim S., Bryant S.H. The depositor-provided information on an assay may have multiple bioactivity outcomes determined with different samples (i.e., different substances) of the same molecule. New Window. Full names and aliases are listed in the, Some fields have a fixed list of allowed search terms, others are free text. Eugenol is used as a component of several dental materials (e.g., dental cements, impression pastes and surgical pastes). The NCBI Handbook, 2nd edition, Chapter 15, The Entrez Search and Retrieval System, Sayers E. (2013). PubChemRDF harnesses ontological frameworks to help facilitate PubChem data sharing, analysis and integration with resources external to the NCBI and across scientific domains. Other databases include the NCBI Epigenomics database. PUG-REST is the simplest programmatic access tool to use and learn because it does not require the overhead of XML and SOAP envelopes. Help. Fu G., Batchelor C., Dumontier M., Hastings J., Willighagen E., Bolton E. PubChemRDF: towards the semantic annotation of PubChem compound and substance databases. Kim S., Bolton E.E., Bryant S.H. Help. Similarly, the US Environmental Protection Agency (EPA) Substance Registry Services (SRS) (http://www.epa.gov/srs/) contributes chemical substance information on chemicals of interest to the EPA. Nickel (II) ion A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. Before Use an asterisk to expand your search with a wildcard. Barbiturate is a class of drugs characterized as central nervous system (CNS) depressants. National Center for Biotechnology Information We also thank the hundreds of data contributors for making their data openly accessible within PubChem. Help. Although widely used, fingerprint-based 2-D similarity methods often fail to detect structural similarity between molecules with similar biological activities, which can readily be detected by 3-D similarity methods. Linalool New Window. Results for NCBI-BLAST are presented in graphical format with all the hits found, a table with sequence identifiers for the hits having scoring related data, along with the alignments for the sequence of interest and the hits received with analogous BLAST scores for these. Entrez is the search and retrieval system used for PubChem's three primary databases and other major NCBI databases , including PubMed, Nucleotide and Protein Sequences, Protein Structures, Genome, Taxonomy and ChEBI], are used to annotate PubChem compounds and substance; and the biomedical ontologies [e.g., Protein ontology (PRO) and Many of these exploit the notion of molecular similarity. It breaks down operations into simpler functions, as defined via the web service definition language (WSDL; http://www.w3.org/TR/wsdl), using SOAP-formatted message envelopes for information exchange. Thus, PubChem provides additional programmatic access routes specialized for PubChem data: PUG, PUG-SOAP and PUG-REST. Biological activity data of chemical substances tested in assay experiments are contained in the BioAssay database. It serves as the central gateway to several PubChem services. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. 5.7 NCBI LinkOut. Help. Adult chinchilla doe rabbits /were administered/ an oral dose of 2.1-2.4 mmol/kg (14)C methylcyclohexane. Gaussian shape methods. For example, one substance record may provide information on biological functions of glucose, while another may describe characteristics of a research grade sample of glucose. to perform on the terms using the following syntax: PubChem3D pre-computes compounds similar to each applicable compound in PubChem in terms of 3-D similarity, and provides immediate access to these 3-D neighbors as well as their respective superpositions. One can download more than this limit, through multiple interactive or programmatic requests. Taxonomy: 6 Records: Gene: 542 Records: PubChem. National Library of Medicine 8600 Rockville Pike Bethesda, MD 20894. Such products are principally combinations of zinc oxide and eugenol in varying ratios. Figure Figure11 shows PubChem's three primary databases (i.e., Substance, Compound and BioAssay) and the data flow between them. Search for profiles of interest based on gene annotation or pre-computed profile characteristics. Taxonomy The EBI RDF platform: linked open data for the life sciences. Architectural Styles and the Design of Network-based Software Architectures. In addition, the icons and links on the right column of the DocSum page allow users to perform further analysis on the query result, to download the corresponding records, to refine or modify the search, to obtain associated records in other databases and so on. An overview of the PubChem BioAssay resource. An official website of the United States government. Xanthine Phenol red is 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. NCBI was directed by David Lipman,[2] one of the original authors of the BLAST sequence alignment program[3] and a widely respected figure in bioinformatics. PubChem contains a large amount of bioactivity data, primarily from high-throughput screening experiments.
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