convert_conc_units: Convert the concentration units in a data.frame of...

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

Convert the concentration units in a data.frame of concentration-time data

Description

Convert the concentration units in a data.frame of concentration-time data

Usage

convert_conc_units(
  DF_to_convert,
  conc_units = "ng/mL",
  DF_with_good_units = NA,
  MW = NA
)

Arguments

DF_to_convert	the data.frame of concentration-time data with units that may need to be converted. If you're converting concentration units, this must include the columns "Conc" and "Conc_units", and, if you're converting time units, it must include the columns "Time", and "Time_units". (Outputs from extractConcTime, extractConcTime_mult, and extractObsConcTime work here.) If you want to convert between mass per volume and molar concentrations and there are multiple compounds present, this must also include the column "CompoundID".
conc_units	concentration units to use, e.g. "ng/mL". Options for concentration units are the same as the ones in the Excel form for PE data entry: "mg/L", "mg/mL", "µg/L" (or "ug/L"), "µg/mL" (or "ug/mL"), "ng/L", "ng/mL", "µM" (or "uM"), or "nM".
DF_with_good_units	if you would like to just match another data.frame, supply here a data.frame that has the desired concentration and time units. Options for concentration units are the same as the ones in the Excel form for PE data entry, and options for time units are "hours", "days", and "minutes".
MW	optionally supply a molecular weight for the compound of interest to enable conversions between mass per volume and molar concentrations. If you have more than one compound, list the compoundID and the MW as a named character vector, e.g., MW = c("substrate" = 325.8, "inhibitor 1" = 705.6) for a DDI simulation of midazolam with itraconazole. If you want to make this type of conversion, the data.frame DF_to_convert must also include the column "CompoundID". Acceptable compoundIDs are "substrate", "primary metabolite 1", "primary metabolite 2", "secondary metabolite", "inhibitor 1", "inhibitor 2", or "inhibitor 1 metabolite".

Value

a data.frame with converted concentration units

Examples

# none yet

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