# Function that returns a data frame for Tmax, Cmax, half-life, AUC and AUCInf for metabolites ```r pk_calculation(df, met_vec, models, grp_name = "Diet", covariates, ref = 1) ``` ## Arguments - `df`: Data frame containing columns Group(factor); ID(subject ID: character); Time(positive: numeric); other individiual characteristics covariates (exlcluding other forms of 'Time') Note: Data must be complete (No missing values). - `met_vec`: Vector of metabolite names - `models`: Fitted models for all metabolites of interest - `grp_name`: Name of the grouping variable - `covariates`: Vector containing the names of the "ID" covariate, grouping covariate and other covariates excluding any "Time" covariates - `ref`: reference level for the grouping variable. could be numeric or character ## Returns Data frame with the pharmacokinetic properties of each metabolite ## Examples ```r require(gammaFuncModel) require(dplyr) ## Not run: df <- data.frame( ID = rep(sprintf("%02d", 1:10), each = 9 * 3), Time = rep(rep(1:9, each = 3), 10), Diet = as.factor(rep(1:3, times = 9 * 10)), Age = rep(sample(20:70, 10, replace = TRUE), each = 9 * 3), BMI = round(rep(runif(10, 18.5, 35), each = 9 * 3), 1) ) metvar <- paste0("met", 1:10) n_rows <- nrow(df) concentration_data <- sapply(1:10, function(m) { shape <- runif(1, 2, 5) scale <- runif(1, 1, 3) rgamma(n_rows, shape = shape, scale = scale) }) colnames(concentration_data) <- metvar df <- cbind(df, as.data.frame(concentration_data)) covariates <- c("ID", "Diet", "Age", "BMI") mods <- generate_models(df = df, met_vec = metvar, covariates = covariates, graph = 'None') result <- pk_calculation( df = df, met_vec = metvar, models = mods, grp_name = "Diet", covariates = covariates ) ## End(Not run) ``` ## References Wickham, H. (2022). dplyr: A Grammar of Data Manipulation. R package version 1.0.10. Available at: [https://CRAN.R-project.org/package=dplyr](https://CRAN.R-project.org/package=dplyr) Pinheiro, J. C., & Bates, D. M. (2022). nlme: Linear and Nonlinear Mixed Effects Models. R package version 3.1-153. Available at: [https://CRAN.R-project.org/package=nlme](https://CRAN.R-project.org/package=nlme)

pk_calculation function