Published January 23, 2021
| Version 1.0
Dataset
Open
CompTox Zebrafish developmental toxicity processed data
Description
Please cite the published paper and original data source.
A classification data set for 19 endpoints of Zebrafish developmental toxicity for QSAR modelling.
The original data was downloaded from https://comptox.epa.gov/dashboard
See also references below.
- 20201230_tx_zf.csv -- Endpoint data
- 20201230_tx_zf_smiles.txt -- SMILES of the structures
- 20201230_tx_zf_descriptors_rdkit.csv -- Descriptors
- 20201230_tx_zf_fp_r3_v5120.csv -- Fingerprints
Files
20201230_tx_zf.csv
Additional details
References
- Williams, A.J.; Grulke, C.M.; Edwards, J.; McEachran, A.D.; Mansouri, K.; Baker, N.C.; Patlewicz, G.; Shah, I.; Wambaugh, J.F.; Judson, R.S.; et al. The CompTox Chemistry Dashboard: A community data resource for environmental chemistry. J. Cheminform. 2017, 9, 1–27, doi:10.1186/s13321-017-0247-6.
- Richard, A.M.; Judson, R.S.; Houck, K.A.; Grulke, C.M.; Volarath, P.; Thillainadarajah, I.; Yang, C.; Rathman, J.; Martin, M.T.; Wambaugh, J.F.; et al. ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology. Chem. Res. Toxicol. 2016, 29, 1225–1251, doi:10.1021/acs.chemrestox.6b00135.
- Truong, L.; Marvel, S.; Reif, D.M.; Thomas, D.G.; Pande, P.; Dasgupta, S.; Simonich, M.T.; Waters, K.M.; Tanguay, R.L. The multi-dimensional embryonic zebrafish platform predicts flame retardant bioactivity. Reprod. Toxicol. 2020, 96, 359–369, doi:10.1016/j.reprotox.2020.08.007.