This function calculates the partition coefficients based on the qsar model selected for the given tissues. Currently only one QSAR model is supported by PLETHEM
1 2 3 4 5 6 | calculatePartitionCoefficients(
selected_qsar = "one",
chem_params = NULL,
tissue_list,
selected_org = "human"
)
|
selected_qsar |
QSAR model to use for estimating partition coefficient |
chem_params |
A named list of chemical params. The list should contain the minimal number of parameters needed to run the QSAR model selected |
tissue_list |
List of tissues for which the partition coefficients need to be calculated. See vignette on Qsar based parameter estimation of more details |
selected_org |
Organism. Either "human" or "rat" |
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