pubchem compound database

  • PubChem Substance and Compound databases

    to PubChem, and the Compound database stores unique chemical structures extracted from the Sub-stance database. Biological activity data of chemi-cal substances tested in assay experiments are con-

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  • How to download list of compounds from …

    This link from PubChem which works on compound IDs and shows how to download. Alternatively take a look at ChemMineTools; Then there is ligdig you can use batch search gets hits from both ChEMBL and NCBI PubChem; The above links should work for you for the work you want to do. A simple google search does not hurt , it only enriches your data ...

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  • PubChem Compound - omicX

    Provides unique chemical structures that come from the Substance database and more than 60 million of Compound IDs (CIDs). PubChem Compound aggregates substance records from different data sources about the same molecule through a common ‘compound’ record. It provides features that allow users to see how their structures would be handled during the standardization process when they …

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  • PubChem Download Page

    16.10.2017· PUBCHEM_ASSAYID_nnn_NAME - Name of the assay with PubChem assay ID (AID) nnn. For example, the assay named "qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4" has AID 884, thus the property name for this assay would be PUBCHEM_ASSAYID_884_NAME. PUBCHEM_ASSAYID_nnn_SUBMITTER - Organization that submitted the assay data to PubChem.

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  • Home - MeSH - NCBI

    MeSH (Medical Subject Headings) is the NLM controlled vocabulary thesaurus used for indexing articles for PubMed.

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  • KEGG COMPOUND Database - Genome

    KEGG COMPOUND is a collection of small molecules, biopolymers, and other chemical substances that are relevant to biological systems. Each entry is identified by the C number, such as C00047 for L-lysine, and contains chemical structure and associated information, as well as various links to other KEGG databases and outside databases. The classification of representative entries in KEGG ...

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  • Pubchem compound database into oracle - …

    Did anyone know a way to import easy all the data from the pubchem compound database into an oracle database (11g)? I didn't find any solution which solves my problem

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  • PubChem - an overview | ScienceDirect Topics

    As shown in Fig. 3, PubChem organizes its data into three inter-linked databases: Substance, Compound, and BioAssay (Kim et al., 2016a) (see the Relevant Websites section).The Substance database contains chemical substance descriptions submitted by individual data depositors. Unique chemical structures are extracted from the Substance database and stored in the Compound database.

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  • PubChem Structure Search

    Require: Disallow: Allow: Biological Properties : Chemical Reactions : Imaging Agent : Journal Publishers via MeSH : Metabolic Pathways : Molecular Libraries Screening Center Network

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  • Chemicals & Bioassays - Site Guide - NCBI

    PubChem Structure Search allows the PubChem Compound Database to be queried by chemical structure or chemical structure pattern. The PubChem Sketcher allows a query to be drawn manually. Users may also specify the structural query input by PubChem Compound Identifier (CID), SMILES, SMARTS, InChI, Molecular Formula, or by upload of a supported structure file format.

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  • (PDF) PubChem Substance and Compound …

    PubChem consists of three inter-linked databases, Substance, Compound and BioAssay. The Substance database contains chemical information deposited by individual data contributors to PubChem, and ...

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  • What is the difference between a substance ... - …

    19.06.2014· PubChem users sometimes ask about the difference between a substance and a compound. The question is not surprising as the names “substance” and “compound” alone do not inherently convey the difference. In PubChem terminology, a substance is a chemical sample description provided by a single source and a compound is a normalized chemical structure representation…

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  • PubChem - Research Database Locator

    PubChem BioAssay: Search bioassay records using terms from the bioassay description, for example "cancer cell line". Links to active compounds and bioassay results are provided. Structure Search: Search PubChem's Compound database using a chemical structure as the query.

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  • PubChem Blog | News, updates and tutorials …

    The PubChem Periodic Table and Element pages help you navigate the abundant chemical element data available within PubChem, while providing a convenient entry point to explore additional information, such as bioactivities, health and safety data, available in PubChem Compound pages for specific elements and their isotopes.

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  • What is the difference between a substance ... - …

    19.06.2014· PubChem users sometimes ask about the difference between a substance and a compound. The question is not surprising as the names “substance” and “compound” alone do not inherently convey the difference. In PubChem terminology, a substance is a chemical sample description provided by a single source and a compound is a normalized chemical structure representation…

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