OPERA models for predicting physicochemical properties and environmental fate endpoints
For the purpose of this modeling study, extensive curation work was conducted on 13 publicly available PHYSPROP physicochemical property and environmental fate datasets.The dataset supporting the conclusions of this article are available within the article and its additional file as well as OPERA’s Github repository (https://github.com/kmansouri/OPERA) and the EPA’s ftp site: https://figshare.com/s/6fa1babbc9a0e9560317.
This dataset is associated with the following publication:
Mansouri, K., C. Grulke, R. Judson, and A. Williams. OPERA models for predicting physicochemical properties and environmental fate endpoints. Journal of Cheminformatics. Springer, New York, NY, USA, 10: 10, (2018).
Complete Metadata
| accessLevel | public |
|---|---|
| bureauCode |
[
"020:00"
]
|
| contactPoint |
{
"fn": "Richard Judson",
"hasEmail": "mailto:judson.richard@epa.gov"
}
|
| description | For the purpose of this modeling study, extensive curation work was conducted on 13 publicly available PHYSPROP physicochemical property and environmental fate datasets.The dataset supporting the conclusions of this article are available within the article and its additional file as well as OPERA’s Github repository (https://github.com/kmansouri/OPERA) and the EPA’s ftp site: https://figshare.com/s/6fa1babbc9a0e9560317. This dataset is associated with the following publication: Mansouri, K., C. Grulke, R. Judson, and A. Williams. OPERA models for predicting physicochemical properties and environmental fate endpoints. Journal of Cheminformatics. Springer, New York, NY, USA, 10: 10, (2018). |
| distribution |
[
{
"title": "https://figshare.com/s/6fa1babbc9a0e9560317",
"accessURL": "https://figshare.com/s/6fa1babbc9a0e9560317"
},
{
"title": "https://gaftp.epa.gov/COMPTOX/NCCT_Publication_Data/Williams_A/Opera_Model_Paper/",
"accessURL": "https://gaftp.epa.gov/COMPTOX/NCCT_Publication_Data/Williams_A/Opera_Model_Paper/"
},
{
"title": "https://github.com/kmansouri/OPERA",
"accessURL": "https://github.com/kmansouri/OPERA"
}
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|
| identifier | https://doi.org/10.23719/1504180 |
| keyword |
[
"ACToR"
]
|
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2018-02-16 |
| 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/10.1186/s13321-018-0263-1"
]
|
| rights |
null
|
| title | OPERA models for predicting physicochemical properties and environmental fate endpoints |
