list_interactions: Find all the possible drug-drug interactions between...

In shirewoman2/Consultancy: Standardized tools for using R within the Simcyp Consultancy Team

Find all the possible drug-drug interactions between compounds included in a single simulation

Description

list_interactions looks through the parameters for a Simcyp simulation for any pathways involved in the transport or elimination of the substrate, primary metabolite 1, primary metabolite 2, or secondary metabolite that are affected by any interactions for the inhibitor 1, inhibitor 1 metabolite, or inhibitor 2. This optionally includes interactions of the drug with itself. This returns a list of a) "affected_pathways" – the affected metabolic pathways – and b) "interactions" – the specific set of elimination and interaction parameters and their values in the specified simulation.

Usage

list_interactions(
  sim_data_file,
  existing_exp_details,
  include_victim_fms = FALSE,
  include_auto_DDI = TRUE
)

Arguments

sim_data_file	name of the Excel file containing the simulated concentration-time data, in quotes; must be an output file from the Simcyp simulator
existing_exp_details	the output from running extractExpDetails_mult or extractExpDetails
include_victim_fms	TRUE (default) or FALSE for whether to additionally read in any information on the substrate fm values for each pathway included in the interactions. This requires that a sheet titled "Time variance %fm and fe", be included in the output.
include_auto_DDI	TRUE or FALSE (default) for whether to list auto-induction or auto-inhibition.

Value

a list: "affected_pathways" (a character vector of the metabolic pathways affected) and "interactions" (a data.frame of all the affected pathways and their exact values for elimination and interaction paraemters)

Examples

# none yet

shirewoman2/Consultancy documentation built on Feb. 18, 2025, 10 p.m.