predict_partitioning_schmitt {httkgui} | R Documentation |
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.
predict_partitioning_schmitt(chem.name=NULL,chem.cas=NULL,species="Human", default.to.human=F,parameters=NULL)
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. |
A regression is used for MA when not provided.
Returns tissue to unbound plasma partition coefficients for each tissue.
Robert Pearce
predict_partitioning_schmitt(chem.name='ibuprofen')