From ba5774e667303c7e3d306d9976a76cf859f0a1d9 Mon Sep 17 00:00:00 2001
From: John Harrold Once you have your model in Other Tools
John Harrold
& Anson K Abraham
- 2024-08-03
+ 2024-09-04
Source: vignettes/Deployment.Rmd
Deployment.Rmd
Getting your model in
rxode2<
Getting your model in NONMEM format
rxode2
format you can
-convert it further into NONMEM format with the babelmixr2
-package. To do this you need at least one inter-individual variablitiy
+convert it further into NONMEM format with the ruminate
+package. To do this you need at least one inter-individual variability
term. You can do this in the system file with the
<IIV:?>
delimiter. In this example we will do that by
using model piping. Here we specify that the typical value of
@@ -182,14 +182,13 @@ Getting your model in NONMEM format
eta_Vc
.
my_model = my_model |>
- model({Vc = exp(TV_Vc + eta_Vc)}) |>
- as.function()
Next we just need to load the babelmixr2
package and
-then we can get the NONMEM model using the nonmemModel
-attribute:
Next we just need to load the ruminate
package
+(>=0.2.4) and use the rx2other()
function to create a
+NONMEM control stream:
-library(babelmixr2)
-my_model_nm = my_model()$nonmemModel
library(ruminate)
+my_model_nm = rx2other(my_model, out_type="nonmem")
You can also get the model in Monolix format using the
monolixModel
attribute:
-my_model_mlx = my_model()$monolixModel
my_model_mlx = rx2other(my_model, out_type="monolix")
The my_model
object:
function ()
-{
+
[36m──
[39m
[1mrxode2-based free-form 3-cmt ODE model
[22m
[36m──────────────────────────────────────
[39m
+ ──
[1m
[1mInitalization:
[1m
[22m ──
+
[1mFixed Effects
[22m (
[1m
[34m$theta
[39m
[22m):
+ TV_Vc TV_Vt TV_CL TV_Q TV_ka TV_fb prop_err add_err
+ 1.0 1.0 1.0 1.0 1.0 1.0 0.1 0.1
+
+
[1mOmega
[22m (
[1m
[34m$omega
[39m
[22m):
+ eta_Vc
+eta_Vc 1
+
[1m
+States
[22m (
[1m
[34m$state
[39m
[22m or
[1m
[34m$stateDf
[39m
[22m):
+ Compartment Number Compartment Name
+1 1 At
+2 2 Cc
+3 3 Cp
+ ──
[1m
[1m
[1m
[1mμ-referencing
[1m
[1m (
[1m
[1m
[34m$muRefTable
[39m
[1m
[1m):
[1m
[22m ──
+ theta eta level
+1 TV_Vc eta_Vc id
+
+ ──
[1m
[1mModel (Normalized Syntax):
[1m
[22m ──
+function() {
ini({
TV_Vc <- c(2.22044604925031e-16, 1)
TV_Vt <- c(2.22044604925031e-16, 1)
@@ -386,13 +404,12 @@ Models in different formats<
Cc_mg_ml = Cc
Cc_mg_ml ~ add(add_err) + prop(prop_err)
})
-}
-<bytecode: 0x11ca4bdd0>
-<environment: 0x10b7abb60>
+}
The my_model_nm
object:
The file containing the control stream is found here:
+my_model_nm$files$ctl$fn_full
.
$PROBLEM translated from babelmixr2
; comments show mu referenced model in ui$getSplitMuModel
@@ -420,14 +437,7 @@ Models in different formats<
DINF=0 ; Dinf = 0
DADT(1) = (- KA*A(1)) ; d/dt(At) = (-ka * At)
DADT(2) = (KA*A(1)*FB/VC-CL/VC*A(2)-RXR1*(A(2)-A(3))/VC+DINF/VC) ; d/dt(Cc) = (ka * At * fb/Vc - CL/Vc * Cc - Q * (Cc - Cp)/Vc + Dinf/Vc)
- RXDZ001=VT
- IF (RXDZ001 .GE. 0.0 .AND. RXDZ001 .LE. 0.000001) THEN
- RXDZ001=0.000001
- END IF
- IF (RXDZ001 .GE. -0.000001 .AND. RXDZ001 .LT. 0.) THEN
- RXDZ001= -0.000001
- END IF
- DADT(3) = (RXR1*(A(2)-A(3))/RXDZ001) ; d/dt(Cp) = (Q * (Cc - Cp)/Vt)
+ DADT(3) = (RXR1*(A(2)-A(3))/VT) ; d/dt(Cp) = (Q * (Cc - Cp)/Vt)
CC_MG_ML=A(2) ; Cc_mg_ml = Cc
$ERROR
@@ -457,7 +467,7 @@ Models in different formats<
$SIGMA 1 FIX
-$ESTIMATION METHOD=1 INTER MAXEVALS=10000 SIGDIG=3 SIGL=12 PRINT=1 NOABORT
+$ESTIMATION METHOD=1 INTER MAXEVALS=100000 SIGDIG=3 SIGL=12 PRINT=1 NOABORT
$COVARIANCE
@@ -469,29 +479,81 @@ Models in different formats<
The my_model_mlx
object:
DESCRIPTION:
-model translated from `babelmixr2` and `nlmixr2` function my_model to my_model-monolix.txt
+The file containing the mlxtran file is found here:
+my_model_mlx$files$mlxtran$fn_full
+<DATAFILE>
+
+[FILEINFO]
+file='my_model-monolix.csv'
+delimiter = comma
+header = {ID, TIME, EVID, AMT, DV, ADM, nlmixrRowNums}
+
+[CONTENT]
+ID = {use=identifier}
+TIME = {use=time}
+EVID = {use=eventidentifier}
+AMT = {use=amount}
+DV = {use=observation, name=rx_prd_Cc_mg_ml, type=continuous}
+ADM = {use=administration}
+
+<MODEL>
+
+[INDIVIDUAL]
+input={Vc_pop, omega_Vc, Vt_pop, CL_pop, Q_pop, ka_pop, fb_pop}
+
+DEFINITION:
+Vc = {distribution=logNormal, typical=Vc_pop, sd=omega_Vc}
+Vt = {distribution=normal, typical=Vt_pop, no-variability}
+CL = {distribution=normal, typical=CL_pop, no-variability}
+Q = {distribution=normal, typical=Q_pop, no-variability}
+ka = {distribution=normal, typical=ka_pop, no-variability}
+fb = {distribution=normal, typical=fb_pop, no-variability}
[LONGITUDINAL]
-input={Vc,Vt,CL,Q,ka,fb}
-
-PK:
-; Define compartments with administrations
-compartment(cmt=1, amount=At)
-; Define PK macros
-depot(type=1, target=At, Tlag=0, p=1)
-
-EQUATION:
- Dinf = 0
- ddt_At = (- ka*At)
- ddt_Cc = (ka*At*fb/Vc-CL/Vc*Cc-Q*(Cc-Cp)/Vc+Dinf/Vc)
- ddt_Cp = (Q*(Cc-Cp)/Vt)
- Cc_mg_ml = Cc
- rx_pred_Cc_mg_ml = Cc_mg_ml
-
-OUTPUT:
-output={rx_pred_Cc_mg_ml}
+input={add_err, prop_err}
+file='my_model-monolix.txt'
+
+DEFINITION:
+rx_prd_Cc_mg_ml={distribution = normal, prediction = rx_pred_Cc_mg_ml, errorModel=combined2(add_err,prop_err)}
+
+<FIT>
+data={rx_prd_Cc_mg_ml}
+model={rx_prd_Cc_mg_ml}
+
+<PARAMETER>
+Vc_pop={value=2.71828182845905, method=MLE}
+Vt_pop={value=1, method=MLE}
+CL_pop={value=1, method=MLE}
+Q_pop={value=1, method=MLE}
+ka_pop={value=1, method=MLE}
+fb_pop={value=1, method=MLE}
+prop_err={value=0.1, method=MLE}
+add_err={value=0.1, method=MLE}
+omega_Vc={value=1, method=MLE}
+
+<MONOLIX>
+
+[TASKS]
+populationParameters()
+individualParameters(method = {conditionalMode})
+fim(method = StochasticApproximation)
+logLikelihood(method = ImportanceSampling)
+plotResult(method = {outputplot, indfits, obspred, residualsscatter, residualsdistribution, parameterdistribution, covariatemodeldiagnosis, randomeffects, covariancemodeldiagnosis, saemresults})
+
+[SETTINGS]
+GLOBAL:
+exportpath = 'my_model-monolix'
+POPULATION:
+exploratoryautostop = no
+smoothingautostop = no
+burniniterations = 5
+exploratoryiterations = 250
+simulatedannealingiterations = 250
+smoothingiterations = 200
+exploratoryalpha = 0
+exploratoryinterval = 200
+omegatau = 0.95
+errormodeltau = 0.95
ID |
-Cmax |
-Tmax |
-Half-life |
-AUC last |
+ID |
+Cmax |
+Tmax |
+Half-life |
+AUC last |
---|---|---|---|---|---|---|---|---|---|
(ng/ml) |
-(ng/ml) |
+||||||||
1 |
-9,950 |
-1 |
-423 |
-1,760,000 |
+1 |
+9,950 |
+1 |
+423 |
+1,760,000 |
2 |
-11,300 |
-1 |
-477 |
-2,510,000 |
+2 |
+11,300 |
+1 |
+477 |
+2,510,000 |
3 |
-7,420 |
-1 |
-500 |
-2,320,000 |
+3 |
+7,420 |
+1 |
+500 |
+2,320,000 |
4 |
-5,760 |
-1 |
-589 |
-1,650,000 |
+4 |
+5,760 |
+1 |
+589 |
+1,650,000 |
5 |
-6,460 |
-1 |
-574 |
-1,890,000 |
+5 |
+6,460 |
+1 |
+574 |
+1,890,000 |
6 |
-9,460 |
-1 |
-526 |
-2,450,000 |
+6 |
+9,460 |
+1 |
+526 |
+2,450,000 |
7 |
-13,800 |
-1 |
-627 |
-3,230,000 |
+7 |
+13,800 |
+1 |
+627 |
+3,230,000 |
8 |
-7,160 |
-1 |
-567 |
-1,970,000 |
+8 |
+7,160 |
+1 |
+567 |
+1,970,000 |
9 |
-9,180 |
-1 |
-561 |
-2,180,000 |
+9 |
+9,180 |
+1 |
+561 |
+2,180,000 |
10 |
-4,760 |
-1 |
-500 |
-1,250,000 |
+10 |
+4,760 |
+1 |
+500 |
+1,250,000 |
11 |
-4,670 |
-1 |
-599 |
-1,630,000 |
+11 |
+4,670 |
+1 |
+599 |
+1,630,000 |
12 |
-12,100 |
-1 |
-546 |
-2,620,000 |
+12 |
+12,100 |
+1 |
+546 |
+2,620,000 |
13 |
-6,380 |
-1 |
-581 |
-2,010,000 |
+13 |
+6,380 |
+1 |
+581 |
+2,010,000 |
14 |
-5,130 |
-1 |
-549 |
-1,620,000 |
+14 |
+5,130 |
+1 |
+549 |
+1,620,000 |
15 |
-4,910 |
-1 |
-751 |
-1,890,000 |
+15 |
+4,910 |
+1 |
+751 |
+1,890,000 |
16 |
-7,580 |
-1 |
-619 |
-1,640,000 |
+16 |
+7,580 |
+1 |
+619 |
+1,640,000 |
17 |
-10,200 |
-1 |
-507 |
-2,500,000 |
+17 |
+10,200 |
+1 |
+507 |
+2,500,000 |
18 |
-10,600 |
-1 |
-639 |
-2,900,000 |
+18 |
+10,600 |
+1 |
+639 |
+2,900,000 |
Mean (Std Dev) |
-563 (73.1) |
-2110000 (517000) |
+Mean (Std Dev) |
+563 (73.1) |
+2110000 (517000) |
||||
Median |
-1 |
-Median |
+1 |
+
Master/Template |
-onbrand |
-Content |
+Master/Template |
+onbrand |
+Content |
---|---|---|---|---|---|
Name |
-Placeholder |
-Type |
+Name |
+Placeholder |
+Type |
title_slide |
-title |
-text |
+title_slide |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
section_slide |
-title |
-text |
+section_slide |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
title_only |
-title |
-text |
+title_only |
+title |
+text |
content_text |
-title |
-text |
+content_text |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
content_body |
-text |
+content_body |
+text |
||
content_list |
-title |
-text |
+content_list |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
content_body |
-list |
+content_body |
+list |
||
two_content_header_list |
-title |
-text |
+two_content_header_list |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
content_left_header |
-text |
+content_left_header |
+text |
||
content_left |
-list |
+content_left |
+list |
||
content_right_header |
-text |
+content_right_header |
+text |
||
content_right |
-list |
+content_right |
+list |
||
two_content_header_text |
-title |
-text |
+two_content_header_text |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
content_left_header |
-text |
+content_left_header |
+text |
||
content_left |
-text |
+content_left |
+text |
||
content_right_header |
-text |
+content_right_header |
+text |
||
content_right |
-text |
+content_right |
+text |
||
two_content_list |
-title |
-text |
+two_content_list |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
content_left |
-list |
+content_left |
+list |
||
content_right |
-list |
+content_right |
+list |
||
two_content_text |
-title |
-text |
+two_content_text |
+title |
+text |
sub_title |
-text |
+sub_title |
+text |
||
content_left |
-text |
+content_left |
+text |
||
content_right |
-text |
+content_right |
+text |
onbrand
mapping file you will need to use the onbrand Style name listed.
onbrand |
-Word |
-Style |
+onbrand |
+Word |
+Style |
---|---|---|---|---|---|
Style |
-Style |
-Type |
+Style |
+Style |
+Type |
Code |
-Code |
-paragraph |
+Code |
+Code |
+paragraph |
Figure_Caption |
-graphic title |
-paragraph |
+Figure_Caption |
+graphic title |
+paragraph |
Heading_1 |
-heading 1 |
-paragraph |
+Heading_1 |
+heading 1 |
+paragraph |
Heading_2 |
-heading 2 |
-paragraph |
+Heading_2 |
+heading 2 |
+paragraph |
Heading_3 |
-heading 3 |
-paragraph |
+Heading_3 |
+heading 3 |
+paragraph |
Normal |
-Normal |
-paragraph |
+Normal |
+Normal |
+paragraph |
Notes |
-Notes |
-paragraph |
+Notes |
+Notes |
+paragraph |
TOC |
-toc 1 |
-paragraph |
+TOC |
+toc 1 |
+paragraph |
Table_Caption |
-table title |
-paragraph |
+Table_Caption |
+table title |
+paragraph |
Table |
-Table Grid |
-table |
+Table |
+Table Grid |
+table |
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