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RJudson_Mansouri_CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational toxicology scientists from 25 international groups to predict androgen receptor activity of a common set of 55,450 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 91 predictive models for binding, agonist, and antagonist. The consensus values for agonist and antagonist activity are being made public through the CompTox Chemicals Dashboard.
This dataset is associated with the following publication:
Mansouri, K., N. Kleinstreuer, R. Judson, A. Williams, I. Shah, and A. Richard. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 128(2): 27002, (2020).
Complete Metadata
| accessLevel | public |
|---|---|
| bureauCode |
[
"020:00"
]
|
| contactPoint |
{
"fn": "Richard Judson",
"hasEmail": "mailto:judson.richard@epa.gov"
}
|
| description | Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational toxicology scientists from 25 international groups to predict androgen receptor activity of a common set of 55,450 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 91 predictive models for binding, agonist, and antagonist. The consensus values for agonist and antagonist activity are being made public through the CompTox Chemicals Dashboard. This dataset is associated with the following publication: Mansouri, K., N. Kleinstreuer, R. Judson, A. Williams, I. Shah, and A. Richard. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 128(2): 27002, (2020). |
| distribution |
[
{
"title": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Analysis.zip",
"accessURL": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Analysis.zip"
},
{
"title": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Consensus.zip",
"accessURL": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Consensus.zip"
},
{
"title": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Data.zip",
"accessURL": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Data.zip"
},
{
"title": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Eval_Set.zip",
"accessURL": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Eval_Set.zip"
},
{
"title": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Submissions.zip",
"accessURL": "https://gaftp.epa.gov/COMPTOX/CCTE_Publication_Data/CCED_Publication_Data/Antony_Williams/CoMPARA/Submissions.zip"
}
]
|
| identifier | https://doi.org/10.23719/1503701 |
| keyword |
[
"ACToR",
"Androgen receptor",
"CoMPARA",
"EDSP",
"QSAR Models",
"ToxCast",
"computational toxicology"
]
|
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2019-11-18 |
| 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/10.1289/ehp5580"
]
|
| rights |
null
|
| title | RJudson_Mansouri_CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity |
