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).
Resources
2 resources available
-
https://clowder.edap-cluster.com/datasets/62680e42e4b0e232136663ff
FILE -
https://github.com/USEPA/CompTox-HTH295R-SAR
FILE
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Complete Metadata
| @type | dcat:Dataset |
|---|---|
| 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" }, { "title": "https://github.com/USEPA/CompTox-HTH295R-SAR", "accessURL": "https://github.com/USEPA/CompTox-HTH295R-SAR" } ] |
| 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 |
