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_gs <- output to onec_gs.OUT
2 Parameter type <- start of ka input
ka
1.5000 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/F
12.00 Parameter value
1 To <- only one data set, 1
[Drug]
2 From <- from component 2
0 happy or not
0 Parameter type
tlag
1.500 Parameter value
0 happy or not
1 Parameter type <- start of Dose input
Dose
100.0 Parameter value
1 To <- into component 1 (GI)
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 - One compartment Oral with Lag-time
1 Data from disk or keyboard
0.000 X value
0.000 Y value
0.5000 X value
0.000 Y value
1.000 X value
0.000 Y value
1.500 X value
0.000 Y value
1.750 X value
0.000 Y value
2.000 X value
0.000 Y value
2.500 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
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_gs.OUT you should see the information below
** FINAL OUTPUT FROM Boomer (v3.3.7) ** 10 August 2011 --- 11:00:39 am
Title: One compartment oral with lag-time
Input: From Keyboard
Output: To onec_gs.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 0.7000E-01 seconds
Model and Parameter Definition
# Name Value Type From To Dep Start Stop
1) ka = 1.500 2 1 2 0 0 0
2) kel = 0.1200 2 2 0 0 0 0
3) V/F = 12.00 18 2 1 0 0 0
4) tlag = 1.500 0 0 0 0 0 0
5) 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 0.5000 0.00000 0.00000 0.00000 0.00000
3 1.000 0.00000 0.00000 0.00000 0.00000
4 1.500 0.00000 0.00000 0.00000 0.00000
5 1.750 0.00000 2.56483 0.00000 -0.00000
6 2.000 0.00000 4.25181 0.00000 -0.00000
7 2.500 0.00000 6.01262 0.00000 -0.00000
8 3.000 0.00000 6.61117 0.00000 -0.00000
9 4.000 0.00000 6.49730 0.00000 -0.00000
10 6.000 0.00000 5.26791 0.00000 -0.00000
11 9.000 0.00000 3.68258 0.00000 -0.00000
12 12.00 0.00000 2.56933 0.00000 -0.00000
13 18.00 0.00000 1.25063 0.00000 -0.00000
14 24.00 0.00000 0.608742 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
0.500000 0.00000 0.00000 0.00000
1.00000 0.00000 0.00000 0.00000
1.50000 0.00000 0.00000 0.00000
1.75000 2.56483 0.320603 0.561056
2.00000 4.25181 1.17268 2.18506
2.50000 6.01262 3.73879 8.06885
3.00000 6.61117 6.89473 16.7851
4.00000 6.49730 13.4490 39.6965
6.00000 5.26791 25.2142 97.2932
9.00000 3.68258 38.6399 194.419
12.0000 2.56933 48.0178 290.382
18.0000 1.25063 59.4777 450.412
24.0000 0.608742 65.0558 561.775
70.1286 725.796
AUC and AUMC extrapolated
from the last data point 7.2 % 22.6 %
Terminal half-life 5.78 ( -0.120 )
Secondary Parameters
MRT = 10.349
Half-life values for each first order rate constant
Parameter 1 has a half-life of ka is 0.462
Parameter 2 has a half-life of kel is 5.78
Dose/AUC (= Clearance/F)
Parameter 5 gives F*Dose/AUC (CL/F) of 1.43
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
0.500000 0.00000
1.00000 0.00000 0.00000 0.00000
1.50000 0.00000 0.00000 0.00000
1.75000 2.56483 0.305336 0.509530
2.00000 4.25181 1.15054 2.10307
2.50000 6.01262 3.70501 7.88732
3.00000 6.61117 6.86935 16.6017
4.00000 6.49730 13.4234 39.5313
6.00000 5.26791 25.1457 97.7332
9.00000 3.68258 38.4298 196.178
12.0000 2.56933 47.7077 292.763
18.0000 1.25063 58.6969 453.678
24.0000 0.608742 64.0459 564.098
69.1187 728.118
AUC and AUMC extrapolated
from the last data point 7.3 % 22.5 %
Terminal half-life 5.78 ( -0.120 )
Secondary Parameters
MRT = 10.534
Half-life values for each first order rate constant
Parameter 1 has a half-life of ka is 0.462
Parameter 2 has a half-life of kel is 5.78
Dose/AUC (= Clearance/F)
Parameter 5 gives F*Dose/AUC (CL/F) of 1.45
Plots of observed (*) and calculated values (+)
versus time for [Drug] . Superimposed points (X)
6.611 Linear 6.611 Semi-log
| + | +
| + | +
| | +
| + | +
| |
| |
| | +
| + |
| | +
| |
| |
| + |
| | + +
| |
| + |
| |
| |
| |
| |
| + + |
| |
| | +
| |
| |
| |
| + |
| |
| |
| + |
| |
|XXX** * * * * * * | +
|_____________________________________ |XXX**_*__*___*____*________*________*
0.000 0.6087
0 <--> 24. 0 <--> 24.