# dmta_ds <- lapply(1:8, function(i) { # ds_i <- dimethenamid_2018$ds[[i]]$data # ds_i[ds_i$name == "DMTAP", "name"] <- "DMTA" # ds_i$time <- ds_i$time * dimethenamid_2018$f_time_norm[i] # ds_i # }) # names(dmta_ds) <- sapply(dimethenamid_2018$ds, function(ds) ds$title) # dmta_ds[["Borstel"]] <- rbind(dmta_ds[["Borstel 1"]], dmta_ds[["Borstel 2"]]) # dmta_ds[["Borstel 1"]] <- NULL # dmta_ds[["Borstel 2"]] <- NULL # dmta_ds[["Elliot"]] <- rbind(dmta_ds[["Elliot 1"]], dmta_ds[["Elliot 2"]]) # dmta_ds[["Elliot 1"]] <- NULL # dmta_ds[["Elliot 2"]] <- NULL # dfop_sfo3_plus <- mkinmod( # DMTA = mkinsub("DFOP", c("M23", "M27", "M31")), # M23 = mkinsub("SFO"), # M27 = mkinsub("SFO"), # M31 = mkinsub("SFO", "M27", sink = FALSE), # quiet = TRUE # ) # f_dmta_mkin_tc <- mmkin( # list("DFOP-SFO3+" = dfop_sfo3_plus), # dmta_ds, quiet = TRUE, error_model = "tc") # # d_dmta_nlmixr <- nlmixr_data(f_dmta_mkin_tc) # m_dmta_nlmixr <- function () # { # ini({ # DMTA_0 = 98.7697627680706 # eta.DMTA_0 ~ 2.35171765917765 # log_k_M23 = -3.92162409637283 # eta.log_k_M23 ~ 0.549278519419884 # log_k_M27 = -4.33774620773911 # eta.log_k_M27 ~ 0.864474956685295 # log_k_M31 = -4.24767627688461 # eta.log_k_M31 ~ 0.750297149164171 # f_DMTA_tffm0_1_qlogis = -2.092409 # eta.f_DMTA_tffm0_1_qlogis ~ 0.3 # f_DMTA_tffm0_2_qlogis = -2.180576 # eta.f_DMTA_tffm0_2_qlogis ~ 0.3 # f_DMTA_tffm0_3_qlogis = -2.142672 # eta.f_DMTA_tffm0_3_qlogis ~ 0.3 # log_k1 = -2.2341008812259 # eta.log_k1 ~ 0.902976221565793 # log_k2 = -3.7762779983269 # eta.log_k2 ~ 1.57684519529298 # g_qlogis = 0.450175725479389 # eta.g_qlogis ~ 3.0851335687675 # sigma_low_DMTA = 0.697933852349996 # rsd_high_DMTA = 0.0257724286053519 # sigma_low_M23 = 0.697933852349996 # rsd_high_M23 = 0.0257724286053519 # sigma_low_M27 = 0.697933852349996 # rsd_high_M27 = 0.0257724286053519 # sigma_low_M31 = 0.697933852349996 # rsd_high_M31 = 0.0257724286053519 # }) # model({ # DMTA_0_model = DMTA_0 + eta.DMTA_0 # DMTA(0) = DMTA_0_model # k_M23 = exp(log_k_M23 + eta.log_k_M23) # k_M27 = exp(log_k_M27 + eta.log_k_M27) # k_M31 = exp(log_k_M31 + eta.log_k_M31) # k1 = exp(log_k1 + eta.log_k1) # k2 = exp(log_k2 + eta.log_k2) # g = expit(g_qlogis + eta.g_qlogis) # f_DMTA_tffm0_1 = expit(f_DMTA_tffm0_1_qlogis + eta.f_DMTA_tffm0_1_qlogis) # f_DMTA_tffm0_2 = expit(f_DMTA_tffm0_2_qlogis + eta.f_DMTA_tffm0_2_qlogis) # f_DMTA_tffm0_3 = expit(f_DMTA_tffm0_3_qlogis + eta.f_DMTA_tffm0_3_qlogis) # f_DMTA_to_M23 = f_DMTA_tffm0_1 # f_DMTA_to_M27 = (1 - f_DMTA_tffm0_1) * f_DMTA_tffm0_2 # f_DMTA_to_M31 = (1 - f_DMTA_tffm0_1) * (1 - f_DMTA_tffm0_2) * f_DMTA_tffm0_3 # d/dt(DMTA) = -((k1 * g * exp(-k1 * time) + k2 * (1 - # g) * exp(-k2 * time))/(g * exp(-k1 * time) + (1 - # g) * exp(-k2 * time))) * DMTA # d/dt(M23) = +f_DMTA_to_M23 * ((k1 * g * exp(-k1 * time) + # k2 * (1 - g) * exp(-k2 * time))/(g * exp(-k1 * time) + # (1 - g) * exp(-k2 * time))) * DMTA - k_M23 * M23 # d/dt(M27) = +f_DMTA_to_M27 * ((k1 * g * exp(-k1 * time) + # k2 * (1 - g) * exp(-k2 * time))/(g * exp(-k1 * time) + # (1 - g) * exp(-k2 * time))) * DMTA - k_M27 * M27 + # k_M31 * M31 # d/dt(M31) = +f_DMTA_to_M31 * ((k1 * g * exp(-k1 * time) + # k2 * (1 - g) * exp(-k2 * time))/(g * exp(-k1 * time) + # (1 - g) * exp(-k2 * time))) * DMTA - k_M31 * M31 # DMTA ~ add(sigma_low_DMTA) + prop(rsd_high_DMTA) # M23 ~ add(sigma_low_M23) + prop(rsd_high_M23) # M27 ~ add(sigma_low_M27) + prop(rsd_high_M27) # M31 ~ add(sigma_low_M31) + prop(rsd_high_M31) # }) # } # m_dmta_nlmixr_mkin <- nlmixr_model(f_dmta_mkin_tc, test_log_parms = TRUE) # f_dmta_nlmixr_saem <- nlmixr(f_dmta_mkin_tc, est = "saem", control = saemControl(print = 250)) # f_dmta_nlmixr_focei <- nlmixr(f_dmta_mkin_tc, est = "focei", control = foceiControl(print = 250)) # plot(f_dmta_nlmixr_saem) # plot(f_dmta_nlmixr_focei) #