| Name : R-httk
| |
| Version : 2.4.0
| Vendor : obs://build_opensuse_org/devel:languages:R
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| Release : lp155.1.1
| Date : 2024-09-10 16:42:26
|
| Group : Development/Libraries/Other
| Source RPM : R-httk-2.4.0-lp155.1.1.src.rpm
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| Size : 6.06 MB
| |
| Packager : https://www_suse_com/
| |
| Summary : High-Throughput Toxicokinetics
|
Description :
Pre-made models that can be rapidly tailored to various chemicals and
species using chemical-specific in vitro data and physiological
information. These tools allow incorporation of chemical toxicokinetics
(\"TK\") and in vitro-in vivo extrapolation (\"IVIVE\") into
bioinformatics, as described by Pearce et al. (2017)
(< doi:10.18637/jss.v079.i04>). Chemical-specific in vitro data
characterizing toxicokinetics have been obtained from relatively
high-throughput experiments. The chemical-independent (\"generic\")
physiologically-based (\"PBTK\") and empirical (for example, one
compartment) \"TK\" models included here can be parameterized with in
vitro data or in silico predictions which are provided for thousands of
chemicals, multiple exposure routes, and various species. High
throughput toxicokinetics (\"HTTK\") is the combination of in vitro data
and generic models. We establish the expected accuracy of HTTK for
chemicals without in vivo data through statistical evaluation of HTTK
predictions for chemicals where in vivo data do exist. The models are
systems of ordinary differential equations that are developed in MCSim
and solved using compiled (C-based) code for speed. A Monte Carlo
sampler is included for simulating human biological variability (Ring
et al., 2017 < doi:10.1016/j.envint.2017.06.004>) and propagating
parameter uncertainty (Wambaugh et al., 2019
< doi:10.1093/toxsci/kfz205>). Empirically calibrated methods are
included for predicting tissue:plasma partition coefficients and volume
of distribution (Pearce et al., 2017 < doi:10.1007/s10928-017-9548-7>).
These functions and data provide a set of tools for using IVIVE to
convert concentrations from high-throughput screening experiments (for
example, Tox21, ToxCast) to real-world exposures via reverse dosimetry
(also known as \"RTK\") (Wetmore et al., 2015
< doi:10.1093/toxsci/kfv171>).
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RPM found in directory: /packages/linux-pbone/ftp5.gwdg.de/pub/opensuse/repositories/devel:/languages:/R:/autoCRAN/15.5/x86_64 |
