Polymer descriptor data set for machine learning prediction of specific heat


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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>Bhowmik, Rahul</dc:creator>
  <dc:creator>Sihn, Sangwook</dc:creator>
  <dc:creator>Pachter, Ruth</dc:creator>
  <dc:creator>Vernon, Jonathan</dc:creator>
  <dc:date>2021-12-06</dc:date>
  <dc:description>We have developed a polymer descriptor data set from the existing data. The data set has 188 descriptors which describe polymer atomic and molecular behavior. The descriptors are mapped to the specific heat of polymers using supervised and unsupervised machine learning approaches. The mapping helps predict the specific heat of polymers at room temperature. The descriptor data set is useful in synthesizing novel polymers with desired heat capacities.</dc:description>
  <dc:identifier>https://archive.materialscloud.org/record/2021.213</dc:identifier>
  <dc:identifier>doi:10.24435/materialscloud:43-js</dc:identifier>
  <dc:identifier>mcid:2021.213</dc:identifier>
  <dc:identifier>oai:materialscloud.org:1146</dc:identifier>
  <dc:language>en</dc:language>
  <dc:publisher>Materials Cloud</dc:publisher>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>polymer</dc:subject>
  <dc:subject>specific heat</dc:subject>
  <dc:subject>descriptors</dc:subject>
  <dc:title>Polymer descriptor data set for machine learning prediction of specific heat</dc:title>
  <dc:type>Dataset</dc:type>
</oai_dc:dc>