Characterizing cleft palate toxicants using ToxCast data, chemical structure, and the biomedical literature

A data set of 500 chemicals evaluated for their ability to induce cleft palate in animal prenatal developmental studies was compiled from Toxicity Reference Database and the biomedical literature, which included 63 cleft palate active and 437 inactive chemicals. To characterize the potential molecular targets for chemical‐induced cleft palate, we mined the ToxCast high‐throughput screening database for patterns and linkages in bioactivity profiles and chemical structural descriptors. The following datasets can be obtained via the links and files in the Data section: Phase II ToxCast assay data results (Judson et al., 2010); The Gene Score data set derived from ToxCast; ToxRefDB version 1 (Knudsen et al., 2009; Martin, Judson, et al., 2009); The ToxPrint chemotypes (Yang et al., 2015).

This dataset is associated with the following publication: Baker, N., N. Sipes, J. Franzosa, D. Belair, B. Abbott, R. Judson, and T. Knudsen. Characterizing cleft palate toxicants using ToxCast data, chemical structure, and the biomedical literature. Birth Defects Research. John Wiley & Sons, Inc., Hoboken, NJ, USA, 1-21, (2019).

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/10.23719/1504179
license https://pasteur.epa.gov/license/sciencehub-license.html
modified 2019-08-07
programCode {020:095}
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/10.1002/bdr2.1581}
resource-type Dataset
source_datajson_identifier true
source_hash a5b233eab84c64277214c32184cfd23a8bfb8486
source_schema_version 1.1
Groups
  • AmeriGEOSS
  • National Provider
  • North America
Tags
  • adverse-outcome-pathway
  • amerigeo
  • amerigeoss
  • ckan
  • cleft-palate
  • developmental-toxicity
  • genes
  • geo
  • geoss
  • machine-learning
  • national
  • north-america
  • tipping-points
  • toxcast
  • united-states
  • vembryo
  • virtual-embryo
  • virtual-tissues
isopen False
license_id other-license-specified
license_title other-license-specified
maintainer Thomas Knudsen
maintainer_email knudsen.thomas@epa.gov
metadata_created 2025-11-22T10:32:53.999384
metadata_modified 2025-11-22T10:32:53.999389
notes A data set of 500 chemicals evaluated for their ability to induce cleft palate in animal prenatal developmental studies was compiled from Toxicity Reference Database and the biomedical literature, which included 63 cleft palate active and 437 inactive chemicals. To characterize the potential molecular targets for chemical‐induced cleft palate, we mined the ToxCast high‐throughput screening database for patterns and linkages in bioactivity profiles and chemical structural descriptors. The following datasets can be obtained via the links and files in the Data section: Phase II ToxCast assay data results (Judson et al., 2010); The Gene Score data set derived from ToxCast; ToxRefDB version 1 (Knudsen et al., 2009; Martin, Judson, et al., 2009); The ToxPrint chemotypes (Yang et al., 2015). This dataset is associated with the following publication: Baker, N., N. Sipes, J. Franzosa, D. Belair, B. Abbott, R. Judson, and T. Knudsen. Characterizing cleft palate toxicants using ToxCast data, chemical structure, and the biomedical literature. Birth Defects Research. John Wiley & Sons, Inc., Hoboken, NJ, USA, 1-21, (2019).
num_resources 4
num_tags 18
title Characterizing cleft palate toxicants using ToxCast data, chemical structure, and the biomedical literature