Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis
Dataset from Foster, M.J., et al., Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis, Computational Toxicology, Vol 24, No. 100245, Nov 2022, DOI https://doi.org/10.1016/j.comtox.2022.100245
The work described herein was conducted in R software (version 4.0.2) and is available at GitHub (https://github.com/USEPA/CompTox-HTH295R-SAR) and the US EPA Clowder repository as well as in Supplemental File 1 as an html file including code and resultant output.
This dataset is associated with the following publication:
Foster, M., G. Patlewicz, I. Shah, D. Haggard, R. Judson, and K. Friedman. Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 24: 100245, (2022).
Complete Metadata
| accessLevel | public |
|---|---|
| bureauCode |
[
"020:00"
]
|
| contactPoint |
{
"fn": "Katie Friedman",
"hasEmail": "mailto:paul-friedman.katie@epa.gov"
}
|
| description | Dataset from Foster, M.J., et al., Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis, Computational Toxicology, Vol 24, No. 100245, Nov 2022, DOI https://doi.org/10.1016/j.comtox.2022.100245 The work described herein was conducted in R software (version 4.0.2) and is available at GitHub (https://github.com/USEPA/CompTox-HTH295R-SAR) and the US EPA Clowder repository as well as in Supplemental File 1 as an html file including code and resultant output. This dataset is associated with the following publication: Foster, M., G. Patlewicz, I. Shah, D. Haggard, R. Judson, and K. Friedman. Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 24: 100245, (2022). |
| distribution |
[
{
"title": "https://clowder.edap-cluster.com/datasets/62680e42e4b0e232136663ff",
"accessURL": "https://clowder.edap-cluster.com/datasets/62680e42e4b0e232136663ff"
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"title": "https://github.com/USEPA/CompTox-HTH295R-SAR",
"accessURL": "https://github.com/USEPA/CompTox-HTH295R-SAR"
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|
| identifier | https://doi.org/10.23719/1529362 |
| keyword |
[
"Read-across",
"chemotypes",
"in silico screening",
"steroidogenesis",
"structure-activity relationships"
]
|
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2022-06-23 |
| programCode |
[
"020:000"
]
|
| 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.2022.100245",
"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569244"
]
|
| rights |
null
|
| title | Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis |
