Data and code for "Grace Patlewicz, Ann M. Richard, Antony J. Williams, Richard S. Judson, Russell S. Thomas, Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing, Computational Toxicology, Volume 24, 2022, 100250, ISSN 2468-1113, https://doi.org/10.1016/j.comtox.2022.100250.".
This dataset is associated with the following publication:
Patlewicz, G., A. Richard, A. Williams, R. Judson, and R. Thomas. Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing.. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 24: 100250, (2022).