December 15, 2025 Dataset Open Access

Emanuel S.R. Ehmki; Torben Gutermuth; Tobias Harren; Stefan Kurtz; Matthias Rarey

DataCite XML Export

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  <identifier identifierType="DOI">10.25592/uhhfdm.18143</identifier>
  <creators>
    <creator>
      <creatorName>Emanuel S.R. Ehmki</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-0457-4856</nameIdentifier>
      <affiliation>University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Torben Gutermuth</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9304-8251</nameIdentifier>
      <affiliation>University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Tobias Harren</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0009-0004-1221-7765</nameIdentifier>
      <affiliation>University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Stefan Kurtz</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5783-0054</nameIdentifier>
      <affiliation>University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Matthias Rarey</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9553-6531</nameIdentifier>
      <affiliation>University of Hamburg, ZBH - Center for Bioinformatics, Albert Einstein Ring 8-10, 22761 Hamburg, Germany</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Supporting Information for the ActivityFinder publication</title>
  </titles>
  <publisher>Universität Hamburg</publisher>
  <publicationYear>2025</publicationYear>
  <subjects>
    <subject>Dataset, Bioactivities, ChEMBL, PDB</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2025-12-15</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://www.fdr.uni-hamburg.de/record/18143</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsSupplementTo">10.1021/acs.jcim.5c02505</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsPartOf">10.25592/uhhfdm.18142</relatedIdentifier>
  </relatedIdentifiers>
  <version>1.0.0</version>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by-nc-sa/3.0/legalcode">Creative Commons Attribution Non Commercial Share Alike 3.0 Unported</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Three supporting data files for the Activityfinder publication are given here.&lt;br&gt;
Two are redundantly saved and also present in the journal article: the unwanted ligand list and the amino acid mapping used for the Activityfinder.&lt;br&gt;
Additionally, a database dump of the complete ActivityDB used for the publication is provided.&lt;/p&gt;</description>
  </descriptions>
</resource>