predict_partitioning_schmitt: Predict partition coefficients using the method from Schmitt...

In wwiecek/httkgui: High-Throughput Toxicokinetics: Analtica Laser prototype

Description

This function implements the method from Schmitt (2008) in predicting the tissue to unbound plasma partition coefficients from for the tissues contained in the tissue.data table.

Usage

predict_partitioning_schmitt(chem.name=NULL,chem.cas=NULL,species="Human",
                             default.to.human=F,parameters=NULL)

Arguments

chem.name	Either the chemical name or the CAS number must be specified.
chem.cas	Either the chemical name or the CAS number must be specified.
species	Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
default.to.human	Substitutes missing animal values with human values if true (hepatic intrinsic clearance or fraction of unbound plasma).
parameters	Chemical parameters from the parameterize_schmitt function, overrides chem.name and chem.cas.

Details

A regression is used for MA when not provided.

Value

Returns tissue to unbound plasma partition coefficients for each tissue.

Author(s)

Robert Pearce

Examples

predict_partitioning_schmitt(chem.name='ibuprofen')

wwiecek/httkgui documentation built on May 15, 2019, 6:31 p.m.