sipes2017 {httk}

Sipes et al. 2017 data

Description

This table includes in silico predicted chemical-specifc plasma protein unbound fraction (fup) and intrinsic hepatic clearance values for the entire Tox21 library (see https://www.epa.gov/chemical-research/toxicology-testing-21st-century-tox21). Predictions were made with Simulations Plus ADMET predictor, as reported in Sipes et al. (2017).

Usage

sipes2017

Format

data.frame

Author(s)

Nisha Sipes

Source

ADMET, Simulations Plus

References

Sipes NS, Wambaugh JF, Pearce R, Auerbach SS, Wetmore BA, Hsieh J, Shapiro AJ, Svoboda D, DeVito MJ, Ferguson SS (2017). “An intuitive approach for predicting potential human health risk with the Tox21 10k library.” Environmental science & technology, 51(18), 10786–10796.

See Also

load_sipes2017