December 15, 2025 Dataset Open Access

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

Dublin Core Export

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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Emanuel S.R. Ehmki</dc:creator>
  <dc:creator>Torben Gutermuth</dc:creator>
  <dc:creator>Tobias Harren</dc:creator>
  <dc:creator>Stefan Kurtz</dc:creator>
  <dc:creator>Matthias Rarey</dc:creator>
  <dc:date>2025-12-15</dc:date>
  <dc:description>Three supporting data files for the Activityfinder publication are given here.
Two are redundantly saved and also present in the journal article: the unwanted ligand list and the amino acid mapping used for the Activityfinder.
Additionally, a database dump of the complete ActivityDB used for the publication is provided.</dc:description>
  <dc:identifier>https://www.fdr.uni-hamburg.de/record/18143</dc:identifier>
  <dc:identifier>10.25592/uhhfdm.18143</dc:identifier>
  <dc:identifier>oai:fdr.uni-hamburg.de:18143</dc:identifier>
  <dc:relation>doi:10.1021/acs.jcim.5c02505</dc:relation>
  <dc:relation>doi:10.25592/uhhfdm.18142</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by-nc-sa/3.0/legalcode</dc:rights>
  <dc:subject>Dataset, Bioactivities, ChEMBL, PDB</dc:subject>
  <dc:title>Supporting Information for the ActivityFinder publication</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>