February 4, 2016 Software Open Access

Daniel S. Himmelstein

DataCite XML Export

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  <identifier identifierType="DOI">10.5281/zenodo.45579</identifier>
  <creators>
    <creator>
      <creatorName>Daniel S. Himmelstein</creatorName>
    </creator>
  </creators>
  <titles>
    <title>User-friendly extensions of the DrugBank database v1.0</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2016</publicationYear>
  <subjects>
    <subject>DrugBank</subject>
    <subject>Compounds</subject>
    <subject>Drugs</subject>
    <subject>Chemical Similarity</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2016-02-04</date>
  </dates>
  <resourceType resourceTypeGeneral="Software"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/45579</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsSupplementTo">https://github.com/dhimmel/drugbank/tree/v1.0</relatedIdentifier>
  </relatedIdentifiers>
  <version>v1.0</version>
  <rightsList>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This repository provides user-friendly extensions to DrugBank 4.2 (downloaded on 2015-03-19). Features include storing data as user-friendly TSV files, creating a slim drug set with approved small molecules that contain InChI structures, computing chemical similarities between compounds, and mapping DrugBank to other chemical vocabularies.&lt;/p&gt;</description>
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