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Presentation Open Access

Learning with Graph Kernels in the Chemical Universe

Tang, Yu-Hang


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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>Tang, Yu-Hang</dc:creator>
  <dc:date>2019-08-08</dc:date>
  <dc:description>Presentations slides of Yu-Hang Tang during the 2019 DSI Data Science Workshop on application of active machine learning and graph kernels. The talk also features the release of the GraphDot library.</dc:description>
  <dc:identifier>https://zenodo.org/record/3364078</dc:identifier>
  <dc:identifier>10.5281/zenodo.3364078</dc:identifier>
  <dc:identifier>oai:zenodo.org:3364078</dc:identifier>
  <dc:relation>doi:10.5281/zenodo.3364077</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://creativecommons.org/licenses/by-nc-nd/4.0/legalcode</dc:rights>
  <dc:subject>machine learning</dc:subject>
  <dc:subject>graph</dc:subject>
  <dc:subject>active learning</dc:subject>
  <dc:subject>molecular prediction</dc:subject>
  <dc:subject>computational chemistry</dc:subject>
  <dc:subject>kernel</dc:subject>
  <dc:subject>similarity</dc:subject>
  <dc:title>Learning with Graph Kernels in the Chemical Universe</dc:title>
  <dc:type>info:eu-repo/semantics/lecture</dc:type>
  <dc:type>presentation</dc:type>
</oai_dc:dc>
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