154 lines
13 KiB
XML
154 lines
13 KiB
XML
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<?xml version="1.0" encoding="utf-8"?>
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<!--re3data.org Schema for the Description of Research Data Repositories. Version 2.2, December 2014. doi:10.2312/re3.006-->
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<r3d:re3data xmlns:r3d="http://www.re3data.org/schema/2-2" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.re3data.org/schema/2-2 http://schema.re3data.org/2-2/re3dataV2-2.xsd">
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<r3d:repository>
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<r3d:re3data.orgIdentifier>r3d100010129</r3d:re3data.orgIdentifier>
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<r3d:repositoryName language="eng">PubChem</r3d:repositoryName>
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<r3d:repositoryURL>https://pubchem.ncbi.nlm.nih.gov/</r3d:repositoryURL>
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<r3d:repositoryIdentifier>FAIRsharing_doi:10.25504/FAIRsharing.qt3w7z</r3d:repositoryIdentifier>
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<r3d:repositoryIdentifier>OMICS_02734</r3d:repositoryIdentifier>
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<r3d:repositoryIdentifier>RRID:SCR_004284</r3d:repositoryIdentifier>
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<r3d:repositoryIdentifier>RRID:SCR_010578</r3d:repositoryIdentifier>
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<r3d:repositoryIdentifier>RRID:nlx_29861</r3d:repositoryIdentifier>
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<r3d:repositoryIdentifier>RRID:nlx_42691</r3d:repositoryIdentifier>
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<r3d:description language="eng">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.</r3d:description>
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<r3d:repositoryContact>https://pubchemdocs.ncbi.nlm.nih.gov/contact</r3d:repositoryContact>
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<r3d:type>disciplinary</r3d:type>
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<r3d:size updated="2021-04-21">270.998.024 Substances; 1.366.263 BioAssays; 109.891.994 Compounds;</r3d:size>
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<r3d:startDate>2004</r3d:startDate>
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<r3d:endDate></r3d:endDate>
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<r3d:repositoryLanguage>eng</r3d:repositoryLanguage>
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<r3d:subject subjectScheme="DFG">2 Life Sciences</r3d:subject>
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<r3d:subject subjectScheme="DFG">201 Basic Biological and Medical Research</r3d:subject>
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<r3d:subject subjectScheme="DFG">21 Biology</r3d:subject>
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<r3d:subject subjectScheme="DFG">3 Natural Sciences</r3d:subject>
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<r3d:subject subjectScheme="DFG">31 Chemistry</r3d:subject>
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<r3d:missionStatementURL>https://pubchemdocs.ncbi.nlm.nih.gov/about</r3d:missionStatementURL>
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<r3d:contentType contentTypeScheme="parse">Databases</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Images</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Plain text</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Raw data</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Scientific and statistical data formats</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Structured graphics</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Structured text</r3d:contentType>
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<r3d:providerType>dataProvider</r3d:providerType>
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<r3d:providerType>serviceProvider</r3d:providerType>
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<r3d:keyword>Validation</r3d:keyword>
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<r3d:keyword>biological screening</r3d:keyword>
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<r3d:keyword>chemical name</r3d:keyword>
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<r3d:keyword>chemical structure</r3d:keyword>
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<r3d:keyword>small molecule</r3d:keyword>
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<r3d:keyword>standardization</r3d:keyword>
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<r3d:keyword>substance information</r3d:keyword>
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<r3d:institution>
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<r3d:institutionName language="eng">National Center für Biotechnology Information</r3d:institutionName>
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<r3d:institutionAdditionalName language="eng">NCBI</r3d:institutionAdditionalName>
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<r3d:institutionCountry>USA</r3d:institutionCountry>
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<r3d:responsibilityType>funding</r3d:responsibilityType>
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<r3d:responsibilityType>general</r3d:responsibilityType>
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<r3d:responsibilityType>technical</r3d:responsibilityType>
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<r3d:institutionType>non-profit</r3d:institutionType>
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<r3d:institutionURL>https://www.ncbi.nlm.nih.gov/</r3d:institutionURL>
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<r3d:institutionIdentifier>ROR:02meqm098</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:SCR_006472</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:nif-0000-00139</r3d:institutionIdentifier>
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<r3d:responsibilityStartDate>2004</r3d:responsibilityStartDate>
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<r3d:responsibilityEndDate></r3d:responsibilityEndDate>
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</r3d:institution>
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<r3d:institution>
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<r3d:institutionName language="eng">National Institutes of Health</r3d:institutionName>
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<r3d:institutionAdditionalName language="eng">NIH</r3d:institutionAdditionalName>
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<r3d:institutionCountry>USA</r3d:institutionCountry>
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<r3d:responsibilityType>funding</r3d:responsibilityType>
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<r3d:institutionType>non-profit</r3d:institutionType>
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<r3d:institutionURL>https://www.nih.gov/</r3d:institutionURL>
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<r3d:institutionIdentifier>ROR:01cwqze88</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:SCR_011417</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:nlx_inv_1005116</r3d:institutionIdentifier>
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<r3d:responsibilityStartDate></r3d:responsibilityStartDate>
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<r3d:responsibilityEndDate></r3d:responsibilityEndDate>
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</r3d:institution>
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<r3d:institution>
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<r3d:institutionName language="eng">U.S. Department of Health & Human Services</r3d:institutionName>
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<r3d:institutionAdditionalName language="eng">HHS</r3d:institutionAdditionalName>
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<r3d:institutionCountry>USA</r3d:institutionCountry>
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<r3d:responsibilityType>funding</r3d:responsibilityType>
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<r3d:institutionType>non-profit</r3d:institutionType>
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<r3d:institutionURL>https://www.hhs.gov/</r3d:institutionURL>
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<r3d:institutionIdentifier>ROR:033jnv181</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:SCR_009983</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:nlx_inv_1005043</r3d:institutionIdentifier>
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<r3d:responsibilityStartDate></r3d:responsibilityStartDate>
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<r3d:responsibilityEndDate></r3d:responsibilityEndDate>
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</r3d:institution>
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<r3d:institution>
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<r3d:institutionName language="eng">United States National Library of Medicine</r3d:institutionName>
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<r3d:institutionAdditionalName language="eng">NLM</r3d:institutionAdditionalName>
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<r3d:institutionCountry>USA</r3d:institutionCountry>
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<r3d:responsibilityType>general</r3d:responsibilityType>
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<r3d:institutionType>non-profit</r3d:institutionType>
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<r3d:institutionURL>https://www.nlm.nih.gov/</r3d:institutionURL>
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<r3d:institutionIdentifier>ROR:0060t0j89</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:SCR_011446</r3d:institutionIdentifier>
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<r3d:institutionIdentifier>RRID:nlx_inv_1005117</r3d:institutionIdentifier>
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<r3d:responsibilityStartDate></r3d:responsibilityStartDate>
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<r3d:responsibilityEndDate></r3d:responsibilityEndDate>
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</r3d:institution>
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<r3d:policy>
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<r3d:policyName>NLM PubChem project data submission policy(DSP)</r3d:policyName>
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<r3d:policyURL>https://pubchem.ncbi.nlm.nih.gov/upload/html/dsp.html</r3d:policyURL>
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</r3d:policy>
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<r3d:policy>
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<r3d:policyName>Privacy policy</r3d:policyName>
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<r3d:policyURL>https://www.nlm.nih.gov/privacy.html</r3d:policyURL>
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</r3d:policy>
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<r3d:databaseAccess>
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<r3d:databaseAccessType>open</r3d:databaseAccessType>
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</r3d:databaseAccess>
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<r3d:dataAccess>
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<r3d:dataAccessType>embargoed</r3d:dataAccessType>
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</r3d:dataAccess>
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<r3d:dataAccess>
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<r3d:dataAccessType>open</r3d:dataAccessType>
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</r3d:dataAccess>
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<r3d:dataLicense>
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<r3d:dataLicenseName>Copyrights</r3d:dataLicenseName>
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<r3d:dataLicenseURL>https://www.copyright.gov/fls/fl102.html</r3d:dataLicenseURL>
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</r3d:dataLicense>
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<r3d:dataLicense>
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<r3d:dataLicenseName>Copyrights</r3d:dataLicenseName>
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<r3d:dataLicenseURL>https://www.ncbi.nlm.nih.gov/home/about/policies/</r3d:dataLicenseURL>
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</r3d:dataLicense>
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<r3d:dataLicense>
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<r3d:dataLicenseName>Public Domain</r3d:dataLicenseName>
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<r3d:dataLicenseURL>https://www.ncbi.nlm.nih.gov/home/about/policies/</r3d:dataLicenseURL>
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</r3d:dataLicense>
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<r3d:dataLicense>
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<r3d:dataLicenseName>other</r3d:dataLicenseName>
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<r3d:dataLicenseURL>https://www.ncbi.nlm.nih.gov/home/about/policies/</r3d:dataLicenseURL>
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</r3d:dataLicense>
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<r3d:dataUpload>
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<r3d:dataUploadType>restricted</r3d:dataUploadType>
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<r3d:dataUploadRestriction>registration</r3d:dataUploadRestriction>
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</r3d:dataUpload>
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<r3d:dataUploadLicense>
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<r3d:dataUploadLicenseName>NLM PubChem project data submission policy</r3d:dataUploadLicenseName>
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<r3d:dataUploadLicenseURL>https://pubchem.ncbi.nlm.nih.gov/upload/html/dsp.html</r3d:dataUploadLicenseURL>
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</r3d:dataUploadLicense>
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<r3d:software>
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<r3d:softwareName>unknown</r3d:softwareName>
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</r3d:software>
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<r3d:versioning>yes</r3d:versioning>
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<r3d:api apiType="FTP">ftp://ftp.ncbi.nlm.nih.gov/</r3d:api>
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<r3d:api apiType="REST">https://pubchemdocs.ncbi.nlm.nih.gov/pug-rest</r3d:api>
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<r3d:api apiType="SOAP">https://pubchemdocs.ncbi.nlm.nih.gov/pug-soap</r3d:api>
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<r3d:pidSystem>other</r3d:pidSystem>
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<r3d:citationGuidelineURL>https://pubchemdocs.ncbi.nlm.nih.gov/citation-guidelines</r3d:citationGuidelineURL>
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<r3d:enhancedPublication>yes</r3d:enhancedPublication>
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<r3d:qualityManagement>yes</r3d:qualityManagement>
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<r3d:syndication syndicationType="RSS">https://pubchem.ncbi.nlm.nih.gov/pcnews.rss</r3d:syndication>
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<r3d:remarks>PubChem is integrated with Entrez, NCBI's primary search engine. The late Senator Claude Pepper recognized the importance of computerized information processing methods for the conduct of biomedical research and sponsored legislation that established the National Center for Biotechnology Information (NCBI) on November 4, 1988, as a division of the National Library of Medicine (NLM) at the National Institutes of Health (NIH). NLM was chosen for its experience in creating and maintaining biomedical databases, and because as part of NIH, it could establish an intramural research program in computational molecular biology. The collective research components of NIH make up the largest biomedical research facility in the world.</r3d:remarks>
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<r3d:entryDate>2012-12-06</r3d:entryDate>
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<r3d:lastUpdate>2021-09-08</r3d:lastUpdate>
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</r3d:repository>
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</r3d:re3data>
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