Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing

Description

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).

Resources

Name Format Description Link
https://doi.org/10.23645/epacomptox.21430380 Unknown Open resource
https://github.com/g-patlewicz/pfas_cats/ Unknown Open resource

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