httk: sipes2017 – R documentation

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sipes2017

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, Nisha S., et al. "An Intuitive Approach for Predicting Potential Human Health Risk with the Tox21 10k Library." Environmental Science & Technology 51.18 (2017): 10786-10796.

httk

High-Throughput Toxicokinetics

v2.0.4

GPL-3

Authors

John Wambaugh [aut, cre] (<https://orcid.org/0000-0002-4024-534X>), Robert Pearce [aut] (<https://orcid.org/0000-0003-3168-4049>), Caroline Ring [aut] (<https://orcid.org/0000-0002-0463-1251>), Greg Honda [aut] (<https://orcid.org/0000-0001-7713-9850>), Mark Sfeir [aut], Matt Linakis [aut] (<https://orcid.org/0000-0003-0526-2395>), Sarah Davidson [aut] (<https://orcid.org/0000-0002-2891-9380>), Miyuki Breen [ctb] (<https://orcid.org/0000-0001-8511-4653>), Shannon Bell [ctb], Xiaoqing Chang [ctb] (<https://orcid.org/0000-0003-0752-1848>), Jimena Davis [ctb], James Sluka [ctb] (<https://orcid.org/0000-0002-5901-1404>), Nisha Sipes [ctb] (<https://orcid.org/0000-0003-4203-6426>), Barbara Wetmore [ctb] (<https://orcid.org/0000-0002-6878-5348>), Woodrow Setzer [ctb] (<https://orcid.org/0000-0002-6709-9186>)

Initial release

2021-05-07