| pradeep2020 {httk} | R Documentation |
Pradeep et al. 2020
Description
This table includes Support Vector Machine and Random Forest model predicted values for unbound fraction plasma protein (fup) and intrinsic hepatic clearance (clint) values for a subset of chemicals in the Tox21 library (see https://www.epa.gov/chemical-research/toxicology-testing-21st-century-tox21).
Usage
pradeep2020
Format
data.frame
Details
Prediction were made with Support Vector Machine and Random Forest models, as reported in Pradeep et al. (2020).
References
Pradeep P, Patlewicz G, Pearce R, Wambaugh J, Wetmore B, Judson R (2020). “Using chemical structure information to develop predictive models for in vitro toxicokinetic parameters to inform high-throughput risk-assessment.” Computational Toxicology, 16, 100136. ISSN 2468-1113, doi:10.1016/j.comtox.2020.100136, https://www.sciencedirect.com/science/article/pii/S2468111320300463.