calculatePartitionCoefficients: Calculate Partition Coefficient

Description Usage Arguments

View source: R/QsarModels.R

Description

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

Usage

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calculatePartitionCoefficients(
  selected_qsar = "one",
  chem_params = NULL,
  tissue_list,
  selected_org = "human"
)

Arguments

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"


plethem documentation built on Nov. 8, 2020, 4:35 p.m.