Polymer descriptor data set for machine learning prediction of specific heat

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{
  "metadata": {
    "is_last": true, 
    "version": 2, 
    "title": "Polymer descriptor data set for machine learning prediction of specific heat", 
    "keywords": [
      "polymer", 
      "specific heat", 
      "descriptors"
    ], 
    "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.", 
    "license": "Creative Commons Attribution 4.0 International", 
    "references": [
      {
        "url": "https://www.sciencedirect.com/science/article/abs/pii/S0032386121001816", 
        "type": "Journal reference", 
        "citation": "R. Bhowmik, S. Sihn, R. Pachter, J. P. Vernon, 220, 123558 (2021)", 
        "comment": "The citation will be updated once accepted for publication.", 
        "doi": "10.1016/j.polymer.2021.123558"
      }
    ], 
    "doi": "10.24435/materialscloud:43-js", 
    "conceptrecid": "411", 
    "publication_date": "Dec 06, 2021, 16:46:11", 
    "edited_by": 576, 
    "_oai": {
      "id": "oai:materialscloud.org:1146"
    }, 
    "contributors": [
      {
        "affiliations": [
          "Polaron Analytics, Suite 450, 4031 Colonel Glenn Highway, Beavercreek, OH 45431, USA", 
          "Air Force Research Laboratory"
        ], 
        "email": "bhowmikrahul@gmail.com", 
        "familyname": "Bhowmik", 
        "givennames": "Rahul"
      }, 
      {
        "affiliations": [
          "Air Force Research Laboratory", 
          "University of Dayton Research Institute"
        ], 
        "email": "sangwook.sihn.1.ctr@us.af.mil", 
        "familyname": "Sihn", 
        "givennames": "Sangwook"
      }, 
      {
        "affiliations": [
          "Air Force Research Laboratory"
        ], 
        "email": "ruth.pachter@us.af.mil", 
        "familyname": "Pachter", 
        "givennames": "Ruth"
      }, 
      {
        "affiliations": [
          "Air Force Research Laboratory"
        ], 
        "email": "jonathan.vernon.2@us.af.mil", 
        "familyname": "Vernon", 
        "givennames": "Jonathan"
      }
    ], 
    "owner": 110, 
    "license_addendum": null, 
    "mcid": "2021.213", 
    "_files": [
      {
        "size": 30334, 
        "checksum": "md5:911b6afd3434ad16a3ed4f114dda29f1", 
        "description": "Polymer descriptor data set is used to map the 188 descriptors to heat capacity using machine learning method, and useful to predict the heat capacities of polymers", 
        "key": "Cp_Polymer_Data.csv"
      }, 
      {
        "size": 546, 
        "checksum": "md5:58e2e6f030d1501a3d03965a46f32694", 
        "description": "The file listed the atom names used in various columns of the file, \"Cp_Polymer_Data.csv.\"", 
        "key": "README.txt"
      }, 
      {
        "size": 107114, 
        "checksum": "md5:988baafdc6c5f7b9c51c61dc433010b1", 
        "description": "The folder contains all the structure files of polymers used to generate the descriptors.", 
        "key": "structures.zip"
      }
    ], 
    "id": "1146", 
    "status": "published"
  }, 
  "revision": 2, 
  "updated": "2021-12-06T15:46:11.175284+00:00", 
  "created": "2021-12-06T15:07:39.379910+00:00", 
  "id": "1146"
}