In vitro and in vivo estrogen receptor data sets
In vitro and in vivo data for the estrogen receptor. The in vivo data is for binding, agonism, and antagonism. The in vivo data is from mouse uterotropic assay data. The following columns are provided in each data set: molecular id, SMILES structure, class (1=active, 0 = inactive), and set (T=training, P=prediction set).
This dataset is associated with the following publication:
Martin , T. Prediction of in vitro and in vivo oestrogen receptor activity using hierarchical clustering. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, USA, 27(1): 17-30, (2016).
Complete Metadata
| accessLevel | public |
|---|---|
| bureauCode |
[
"020:00"
]
|
| contactPoint |
{
"fn": "Todd Martin",
"hasEmail": "mailto:martin.todd@epa.gov"
}
|
| description | In vitro and in vivo data for the estrogen receptor. The in vivo data is for binding, agonism, and antagonism. The in vivo data is from mouse uterotropic assay data. The following columns are provided in each data set: molecular id, SMILES structure, class (1=active, 0 = inactive), and set (T=training, P=prediction set). This dataset is associated with the following publication: Martin , T. Prediction of in vitro and in vivo oestrogen receptor activity using hierarchical clustering. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, USA, 27(1): 17-30, (2016). |
| distribution |
[
{
"title": "scihub data for ER paper.xlsx",
"mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1503161/scihub%20data%20for%20ER%20paper.xlsx"
}
]
|
| identifier | https://doi.org/10.23719/1503161 |
| keyword |
[
"estrogenic activity in vitro and in vivo",
"qsar"
]
|
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2018-11-08 |
| 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/10.1080/1062936x.2015.1125945"
]
|
| rights |
null
|
| title | In vitro and in vivo estrogen receptor data sets |
