{"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"}