One compartment Model (Dose,tlag,ki1-4,ka1-4/kel/V/F)
One compartment Model (Dose,tlag,ki1-4,ka1-4/kel/V/F)
--
Boomer Batch File
2 wls,bayes,sim,irwls,sim+error,grid
1 Screen, diskfile
onec_ds <- output to onec_ds.OUT
2 Parameter type <- start of ki1 input type 2
ki1
1.200 Parameter value
2 To
1 From
0 happy or not
2 Parameter type
ki2
0.6000 Parameter value
3 To
2 From
0 happy or not
2 Parameter type
ki3
0.3000 Parameter value
4 To
3 From
0 happy or not
2 Parameter type
ki4
0.3000 Parameter value
0 To
4 From
0 happy or not
2 Parameter type
ka1
0.2000 Parameter value
5 To
1 From
0 happy or not
2 Parameter type
ka2
1.500 Parameter value
5 To
2 From
0 happy or not
2 Parameter type
ka3
0.4000 Parameter value
5 To
3 From
0 happy or not
2 Parameter type
ka4
0.4000 Parameter value
5 To
4 From
0 happy or not
2 Parameter type
kel
0.1500 Parameter value
0 To
5 From
0 happy or not
18 Parameter type
V/F
12.30 Parameter value
1 To
[Drug]
5 From
0 happy or not
18 Parameter type
One-1
1.000 Parameter value
2 To
Amt 1
1 From
0 happy or not
18 Parameter type
One-2
1.000 Parameter value
3 To
Amt 2
2 From
0 happy or not
18 Parameter type
One-3
1.000 Parameter value
4 To
Amt 3
3 From
0 happy or not
18 Parameter type
One-4
1.000 Parameter value
5 To
Amt 4
4 From
0 happy or not
18 Parameter type
One-5
1.000 Parameter value
6 To
Amt 5
5 From
0 happy or not
0 Parameter type <- define tlag here
tlag
0.2000 Parameter value
0 happy or not
1 Parameter type <- dose moved here after tlag
Dose
100.0 Parameter value
1 Start interrupt number
1 To
0 happy or not
-1 Parameter type
2 Integration method
0.000 Relative error
0.000 Absolute error
Simulation - Oral dose with four absorption sites and lagtime
1 Data from disk or keyboard
0.000 X value
0.000 Y value
0.100 X value <- data at 0.1 to see lagtime
0.000 Y value
0.200 X value
0.000 Y value
0.300 X value
0.000 Y value
1.000 X value
0.000 Y value
2.000 X value
0.000 Y value
3.000 X value
0.000 Y value
4.000 X value
0.000 Y value
6.000 X value
0.000 Y value
9.000 X value
0.000 Y value
12.00 X value
0.000 Y value
-1.000 X value
0 Accept, correct, delete, insert, of
0 Continue or save data
0.000 X value
0.000 Y value
0.100 X value
0.000 Y value
0.200 X value
0.000 Y value
0.300 X value
0.000 Y value
1.000 X value
0.000 Y value
2.000 X value
0.000 Y value
3.000 X value
0.000 Y value
4.000 X value
0.000 Y value
6.000 X value
0.000 Y value
9.000 X value
0.000 Y value
12.00 X value
0.000 Y value
-1.000 X value
0 Accept, correct, delete, insert, of
0 Continue or save data
0.000 X value
0.000 Y value
1.000 X value
0.000 Y value
2.000 X value
0.000 Y value
3.000 X value
0.000 Y value
4.000 X value
0.000 Y value
6.000 X value
0.000 Y value
9.000 X value
0.000 Y value
12.00 X value
0.000 Y value
-1.000 X value
0 Accept, correct, delete, insert, of
0 Continue or save data
0.000 X value
0.000 Y value
1.000 X value
0.000 Y value
2.000 X value
0.000 Y value
3.000 X value
0.000 Y value
4.000 X value
0.000 Y value
6.000 X value
0.000 Y value
9.000 X value
0.000 Y value
12.00 X value
0.000 Y value
-1.000 X value
0 Accept, correct, delete, insert, of
0 Continue or save data
0.000 X value
0.000 Y value
1.000 X value
0.000 Y value
2.000 X value
0.000 Y value
3.000 X value
0.000 Y value
4.000 X value
0.000 Y value
6.000 X value
0.000 Y value
9.000 X value
0.000 Y value
12.00 X value
0.000 Y value
-1.000 X value
0 Accept, correct, delete, insert, of
0 Continue or save data
0.000 X value
0.000 Y value
1.000 X value
0.000 Y value
2.000 X value
0.000 Y value
3.000 X value
0.000 Y value
4.000 X value
0.000 Y value
6.000 X value
0.000 Y value
9.000 X value
0.000 Y value
12.00 X value
0.000 Y value
-1.000 X value
0 Accept, correct, delete, insert, of
0 Continue or save data
1 AUC line number
0 AUC line number
2 Continue,save,plot,supplemental,sen
-1 wls,bayes,sim,irwls,sim+error,grid
--
When you open onec_ds.OUT you should see the information below
** FINAL OUTPUT FROM Boomer (v3.3.7) ** 7 July 2011 --- 1:42:17 pm
Title: Simulation - Oral dose with four absorption sites and lagtim
Input: From onec_ds.BAT
Output: To onec_ds.OUT
Data for [Drug] came from keyboard (or ?.BAT)
Data for Amt 1 came from keyboard (or ?.BAT)
Data for Amt 2 came from keyboard (or ?.BAT)
Data for Amt 3 came from keyboard (or ?.BAT)
Data for Amt 4 came from keyboard (or ?.BAT)
Data for Amt 5 came from keyboard (or ?.BAT)
Fitting algorithm: Simulation
Numerical integration method: 2) Fehlberg RKF45
with 5 de(s)
With relative error 0.1000E-03
With absolute error 0.1000E-03
This simulation took 0.1000E-01 seconds
Model and Parameter Definition
# Name Value Type From To Dep Start Stop
1) ki1 = 1.200 2 1 2 0 0 0
2) ki2 = 0.6000 2 2 3 0 0 0
3) ki3 = 0.3000 2 3 4 0 0 0
4) ki4 = 0.3000 2 4 0 0 0 0
5) ka1 = 0.2000 2 1 5 0 0 0
6) ka2 = 1.500 2 2 5 0 0 0
7) ka3 = 0.4000 2 3 5 0 0 0
8) ka3 = 0.4000 2 4 5 0 0 0
9) kel = 0.1500 2 5 0 0 0 0
10) V/F = 12.30 18 5 1 0 0 0
11) One-1 = 1.000 18 1 2 0 0 0
12) One-2 = 1.000 18 2 3 0 0 0
13) One-3 = 1.000 18 3 4 0 0 0
14) One-4 = 1.000 18 4 5 0 0 0
15) One-5 = 1.000 18 5 6 0 0 0
16) tlag = 0.2000 0 0 0 0 0 0
17) Dose = 100.0 1 0 1 0 1 0
Data for [Drug] :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 0.00000 0.00000 0.00000
2 0.1000 0.00000 0.00000 0.00000 0.00000
3 0.2000 0.00000 0.00000 0.00000 0.00000
4 0.3000 0.00000 0.215768 0.00000 -0.00000
5 1.000 0.00000 2.68738 0.00000 -0.00000
6 2.000 0.00000 4.80721 0.00000 -0.00000
7 3.000 0.00000 5.21962 0.00000 -0.00000
8 4.000 0.00000 4.96256 0.00000 -0.00000
9 6.000 0.00000 3.98842 0.00000 -0.00000
10 9.000 0.00000 2.63979 0.00000 -0.00000
11 12.00 0.00000 1.69898 0.00000 -0.00000
Data for Amt 1 :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 0.00000 0.00000 0.00000
2 0.1000 0.00000 0.00000 0.00000 0.00000
3 0.2000 0.00000 0.00000 0.00000 0.00000
4 0.3000 0.00000 86.9358 0.00000 -0.00000
5 1.000 0.00000 32.6280 0.00000 -0.00000
6 2.000 0.00000 8.04589 0.00000 -0.00000
7 3.000 0.00000 1.98405 0.00000 -0.00000
8 4.000 0.00000 0.489233 0.00000 -0.00000
9 6.000 0.00000 0.297390E-01 0.00000 -0.00000
10 9.000 0.00000 0.439821E-03 0.00000 -0.00000
11 12.00 0.00000 0.617914E-05 0.00000 -0.00000
Data for Amt 2 :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 0.00000 0.00000 0.00000
2 1.000 0.00000 23.9840 0.00000 -0.00000
3 2.000 0.00000 9.88096 0.00000 -0.00000
4 3.000 0.00000 2.92232 0.00000 -0.00000
5 4.000 0.00000 0.780086 0.00000 -0.00000
6 6.000 0.00000 0.501073E-01 0.00000 -0.00000
7 9.000 0.00000 0.752739E-03 0.00000 -0.00000
8 12.00 0.00000 0.105924E-04 0.00000 -0.00000
Data for Amt 3 :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 0.00000 0.00000 0.00000
2 1.000 0.00000 7.71597 0.00000 -0.00000
3 2.000 0.00000 10.6939 0.00000 -0.00000
4 3.000 0.00000 7.63869 0.00000 -0.00000
5 4.000 0.00000 4.44529 0.00000 -0.00000
6 6.000 0.00000 1.22394 0.00000 -0.00000
7 9.000 0.00000 0.154518 0.00000 -0.00000
8 12.00 0.00000 0.189807E-01 0.00000 -0.00000
Data for Amt 4 :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 0.00000 0.00000 0.00000
2 1.000 0.00000 0.706448 0.00000 -0.00000
3 2.000 0.00000 2.56401 0.00000 -0.00000
4 3.000 0.00000 3.24565 0.00000 -0.00000
5 4.000 0.00000 2.85756 0.00000 -0.00000
6 6.000 0.00000 1.40904 0.00000 -0.00000
7 9.000 0.00000 0.310222 0.00000 -0.00000
8 12.00 0.00000 0.550584E-01 0.00000 -0.00000
Data for Amt 5 :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 0.00000 0.00000 0.00000
2 1.000 0.00000 33.0548 0.00000 -0.00000
3 2.000 0.00000 59.1286 0.00000 -0.00000
4 3.000 0.00000 64.2013 0.00000 -0.00000
5 4.000 0.00000 61.0395 0.00000 -0.00000
6 6.000 0.00000 49.0576 0.00000 -0.00000
7 9.000 0.00000 32.4694 0.00000 -0.00000
8 12.00 0.00000 20.8975 0.00000 -0.00000
Calculation of AUC and AUMC based on trapezoidal rule
AUC and AUMC for [Drug] using Calculated data
Time Concentration AUC AUMC
0.00000 0.00000
0.100000 0.00000 0.00000 0.00000
0.200000 0.00000 0.00000 0.00000
0.300000 0.215768 0.107884E-01 0.323652E-02
1.00000 2.68738 1.02689 0.966477
2.00000 4.80721 4.77419 7.11738
3.00000 5.21962 9.78760 19.7540
4.00000 4.96256 14.8787 37.5085
6.00000 3.98842 23.8297 81.2893
9.00000 2.63979 33.7720 152.822
12.0000 1.69898 40.2801 219.041
51.8465 436.579
AUC and AUMC extrapolated
from the last data point 22.3 % 49.8 %
Terminal half-life 4.72 ( -0.147 )
Secondary Parameters
MRT = 8.4206
Half-life values for each first order rate constant
Parameter 1 has a half-life of ki1 is 0.578
Parameter 2 has a half-life of ki2 is 1.16
Parameter 3 has a half-life of ki3 is 2.31
Parameter 4 has a half-life of ki4 is 2.31
Parameter 5 has a half-life of ka1 is 3.47
Parameter 6 has a half-life of ka2 is 0.462
Parameter 7 has a half-life of ka3 is 1.73
Parameter 8 has a half-life of ka3 is 1.73
Parameter 9 has a half-life of kel is 4.62
Dose/AUC (= Clearance/F)
Parameter 17 gives Dose/AUC (CL/F) of 1.93
Calculation of AUC and AUMC using Method 9 of R.D. Purves
AUC and AUMC for [Drug] using Calculated data
Time Concentration AUC AUMC
0.00000 0.00000
0.100000 0.00000
0.200000 0.00000 0.00000 0.00000
0.300000 0.215768 0.958970E-02 0.257723E-02
1.00000 2.68738 0.864960 0.659493
2.00000 4.80721 4.65955 6.52803
3.00000 5.21962 9.78359 19.3725
4.00000 4.96256 14.8736 37.1661
6.00000 3.98842 23.7891 81.4192
9.00000 2.63979 33.5927 153.937
12.0000 1.69898 39.9975 220.485
51.5639 438.023
AUC and AUMC extrapolated
from the last data point 22.4 % 49.7 %
Terminal half-life 4.72 ( -0.147 )
Secondary Parameters
MRT = 8.4948
Half-life values for each first order rate constant
Parameter 1 has a half-life of ki1 is 0.578
Parameter 2 has a half-life of ki2 is 1.16
Parameter 3 has a half-life of ki3 is 2.31
Parameter 4 has a half-life of ki4 is 2.31
Parameter 5 has a half-life of ka1 is 3.47
Parameter 6 has a half-life of ka2 is 0.462
Parameter 7 has a half-life of ka3 is 1.73
Parameter 8 has a half-life of ka3 is 1.73
Parameter 9 has a half-life of kel is 4.62
Dose/AUC (= Clearance/F)
Parameter 17 gives Dose/AUC (CL/F) of 1.94
Plots of observed (*) and calculated values (+)
versus time for [Drug] . Superimposed points (X)
5.220 Linear 5.220 Semi-log
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|X * * * * * * * |+
|_____________________________________ |X__*__*__*__*_____*________*________*
0.000 0.2158
0 <--> 12. 0 <--> 12.
Plots of observed (*) and calculated values (+)
versus time for Amt 1 . Superimposed points (X)
86.94 Linear 86.94 Semi-log
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|_____________________________________ |X__*__*__*__*_____*________*________*
0.000 0.6179E-05
0 <--> 12. 0 <--> 12.
Plots of observed (*) and calculated values (+)
versus time for Amt 2 . Superimposed points (X)
23.98 Linear 23.98 Semi-log
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|_____________________________________ |X__*__*__*__*_____*________*________*
0.000 0.1059E-04
0 <--> 12. 0 <--> 12.
Plots of observed (*) and calculated values (+)
versus time for Amt 3 . Superimposed points (X)
10.69 Linear 10.69 Semi-log
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|X * * * * * X X | +
|_____________________________________ |X__*__*__*__*_____*________*________*
0.000 0.1898E-01
0 <--> 12. 0 <--> 12.
Plots of observed (*) and calculated values (+)
versus time for Amt 4 . Superimposed points (X)
3.246 Linear 3.246 Semi-log
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|X * * * * * * X | +
|_____________________________________ |X__*__*__*__*_____*________*________*
0.000 0.5506E-01
0 <--> 12. 0 <--> 12.
Plots of observed (*) and calculated values (+)
versus time for Amt 5 . Superimposed points (X)
64.20 Linear 64.20 Semi-log
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|X * * * * * * * | +
|_____________________________________ |X__*__*__*__*_____*________*________*
0.000 20.90
0 <--> 12. 0 <--> 12.