{
  "accessLevel": "public",
  "bureauCode": [
    "020:00"
  ],
  "contactPoint": {
    "fn": "Rogelio Tornero-Velez",
    "hasEmail": "mailto:tornero-velez.rogelio@epa.gov"
  },
  "description": "Observed fup data obtained from the literature; SMILES structures obtained from Pubchem SDF files. \n\nThis dataset is associated with the following publication:\nYun, Y.E., R. Tornero-Velez, T. Purucker, D. Chang, and A.N. Edginton. Evaluation of Quantitative Structure Property Relationship algorithms for predicting plasma protein binding in humans.   Computational Toxicology. Elsevier B.V., Amsterdam,  NETHERLANDS, 17: 100142, (2021).",
  "distribution": [
    {
      "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1520781/Supplement%20Data%201.docx",
      "mediaType": "application/vnd.openxmlformats-officedocument.wordprocessingml.document",
      "title": "Supplement Data 1.docx"
    },
    {
      "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1520781/Supplement%20Data%202.xlsx",
      "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
      "title": "Supplement Data 2.xlsx"
    }
  ],
  "identifier": "https://doi.org/10.23719/1520781",
  "keyword": [
    "Environmentally Relevant",
    "PubChem",
    "QSPR",
    "cheminformatics",
    "plasma protein binding"
  ],
  "license": "https://pasteur.epa.gov/license/sciencehub-license.html",
  "modified": "2020-04-27",
  "programCode": [
    "020:095"
  ],
  "publisher": {
    "name": "U.S. EPA Office of Research and Development (ORD)",
    "subOrganizationOf": {
      "name": "U.S. Environmental Protection Agency",
      "subOrganizationOf": {
        "name": "U.S. Government"
      }
    }
  },
  "references": [
    "https://doi.org/10.1016/j.comtox.2020.100142"
  ],
  "rights": null,
  "title": "Evaluation of quantitative structure property relationship algorithms for predicting plasma protein binding in humans-UW-QSPR-Supplementary data"
}