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).

[
  "020:00"
]

[
  "020:095"
]

[
  "https://doi.org/10.1002/bdr2.1581"
]