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).

Data and Resources

Field Value
accessLevel public
bureauCode {020:00}
catalog_conformsTo https://project-open-data.cio.gov/v1.1/schema
identifier https://doi.org/10.23719/1529362
license https://pasteur.epa.gov/license/sciencehub-license.html
modified 2022-06-23
programCode {020:000}
publisher U.S. EPA Office of Research and Development (ORD)
publisher_hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
references {https://doi.org/10.1016/j.comtox.2022.100245,https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569244}
resource-type Dataset
source_datajson_identifier true
source_hash 062a35281024f799c4d12e5e51ed8be4372b433e6920bdca8fd5e4e6c3e51fd5
source_schema_version 1.1
Groups
  • AmeriGEOSS
  • National Provider
  • North America
Tags
  • AmeriGEO
  • AmeriGEOSS
  • CKAN
  • GEO
  • GEOSS
  • National
  • North America
  • United States
  • chemotypes
  • in-silico-screening
  • read-across
  • steroidogenesis
  • structure-activity-relationships
isopen False
license_id other-license-specified
license_title other-license-specified
maintainer Katie Friedman
maintainer_email paul-friedman.katie@epa.gov
metadata_created 2025-09-24T02:17:31.465594
metadata_modified 2025-09-24T02:17:31.465603
notes 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).
num_resources 2
num_tags 13
title Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis