One compartment Model (ka/kel/V/F)
One compartment Model (ka/kel/V/F)
--
Boomer Batch File
2 wls,bayes,sim,irwls,sim+error,grid
1 Screen, diskfile
onec_bs <- output to onec_bs.OUT
1 Parameter type <- start of Dose input
Dose
100.0 Parameter value
1 To <- into component 1 (GI)
0 happy or not
2 Parameter type <- start of ka input
ka
1.2300 Parameter value
2 To <- to component 2 (central)
1 From <- from 1 (GI)
0 happy or not
2 Parameter type <- start of kel input
kel
0.1230 Parameter value
0 To <- to outside
2 From <- from component 2
0 happy or not
18 Parameter type <- start of V input
V
12.30 Parameter value
1 To <- only one data set, 1
[Drug]
2 From <- from component 2
0 happy or not
-1 Parameter type <- end of model definition
2 Integration method <- Fehlberg RKF45 - default
0.000 Relative error
0.000 Absolute error
Simulation - Once compartment Oral
1 Data from disk or keyboard
0.000 X value
0.000 Y value
0.250 X value
0.000 Y value
0.500 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
5.000 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
18.00 X value
0.000 Y value
24.00 X value
0.000 Y value
-1.000 X value <- end of data entry
0 Accept, correct, delete, insert, of
0 Continue or save data
1 AUC line number <- AUC calculation for data set 1
0 AUC line number <- no more AUC calculations
2 Continue,save,plot,supplemental,sen
-1 wls,bayes,sim,irwls,sim+error,grid <- finish
--
When you open onec_bs.OUT you should see the information below
** FINAL OUTPUT FROM Boomer (v3.3.6a) ** 4 July 2011 --- 12:44:47 pm
Title: Simulation - Once compartment Oral
Input: From onec_bs.BAT
Output: To onec_bs.OUT
Data for [Drug] came from keyboard (or ?.BAT)
Fitting algorithm: Simulation
Numerical integration method: 2) Fehlberg RKF45
with 2 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) Dose = 100.0 1 0 1 0 0 0
2) ka = 1.230 2 1 2 0 0 0
3) kel = 0.1230 2 2 0 0 0 0
4) V = 12.30 18 2 1 0 0 0
Data for [Drug] :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 0.00000 0.00000 0.00000
2 0.2500 0.00000 2.11775 0.00000 -0.00000
3 0.5000 0.00000 3.61077 0.00000 -0.00000
4 1.000 0.00000 5.34753 0.00000 -0.00000
5 2.000 0.00000 6.29169 0.00000 -0.00000
6 3.000 0.00000 6.02037 0.00000 -0.00000
7 4.000 0.00000 5.45713 0.00000 -0.00000
8 5.000 0.00000 4.86457 0.00000 -0.00000
9 6.000 0.00000 4.31297 0.00000 -0.00000
10 9.000 0.00000 2.98585 0.00000 -0.00000
11 12.00 0.00000 2.06459 0.00000 -0.00000
12 18.00 0.00000 0.987015 0.00000 -0.00000
13 24.00 0.00000 0.471858 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
0.250000 2.11775 0.264719 0.661798E-01
0.500000 3.61077 0.980785 0.358033
1.00000 5.34753 3.22036 2.14626
2.00000 6.29169 9.03997 11.1117
3.00000 6.02037 15.1960 26.4340
4.00000 5.45713 20.9348 46.3788
5.00000 4.86457 26.0956 69.4544
6.00000 4.31297 30.6844 94.5548
9.00000 2.98585 41.6326 173.680
12.0000 2.06459 49.2082 251.152
18.0000 0.987015 58.3630 378.776
24.0000 0.471858 62.7397 466.048
66.5759 589.306
AUC and AUMC extrapolated
from the last data point 5.8 % 20.9 %
Secondary Parameters
MRT = 8.8516
Half-life values for each first order rate constant
Parameter 2 has a half-life of ka is 0.564
Parameter 3 has a half-life of kel is 5.64
Dose/AUC (= Clearance/F)
Parameter 1 gives Dose/AUC (CL/F) of 1.50
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
0.250000 2.11775
0.500000 3.61077 1.00682 0.326928
1.00000 5.34753 3.32448 2.10136
2.00000 6.29169 9.51103 11.4599
3.00000 6.02037 15.6661 26.8248
4.00000 5.45713 21.4002 46.8474
5.00000 4.86457 26.5554 69.9963
6.00000 4.31297 31.1386 95.1581
9.00000 2.98585 41.9651 175.364
12.0000 2.06459 49.4560 253.328
18.0000 0.987015 58.2167 381.536
24.0000 0.471858 62.4049 467.957
66.2412 591.215
AUC and AUMC extrapolated
from the last data point 5.8 % 20.8 %
Secondary Parameters
MRT = 8.9252
Half-life values for each first order rate constant
Parameter 2 has a half-life of ka is 0.564
Parameter 3 has a half-life of kel is 5.64
Dose/AUC (= Clearance/F)
Parameter 1 gives Dose/AUC (CL/F) of 1.51
Plots of observed (*) and calculated values (+)
versus time for [Drug] . Superimposed points (X)
6.292 Linear 6.292 Semi-log
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|X* ** ** * * * * * | +
|_____________________________________ |X*_**_**_*___*____*________*________*
0.000 0.4719
0 <--> 24. 0 <--> 24.