One compartment Model (ka/kel/V/F/tlag)
One compartment Model (ka/kel/V/F/tlag)
--
Boomer Batch File
0 wls,bayes,sim,irwls,sim+error,grid
1 Screen, diskfile
onec_cf <- output to onec_cf
2 Parameter type <- start of ka input
ka
1.200 Parameter value
1 Fixed,adjust,depend1,depend2 <- fitted by the program
0.000 Lower limit
10.00 Upper limit
2 To
1 From
0 happy or not
2 Parameter type <- start of kel input
kel
0.1200 Parameter value
1 Fixed,adjust,depend1,depend2
0.000 Lower limit
1.000 Upper limit
0 To
2 From
0 happy or not
18 Parameter type <- start of V/F input
V/F
12.00 Parameter value
1 Fixed,adjust,depend1,depend2
1.000 Lower limit
100.0 Upper limit
1 To
[Drug]
2 From
0 happy or not
0 Parameter type
tlag
1.000 Parameter value
1 Fixed,adjust,depend1,depend2
0.000 Lower limit
2.000 Upper limit
0 happy or not
1 Parameter type <- start of Dose input
Dose
100.0 Parameter value
1 Start interrupt number
0 Fixed,adjust,depend1,depend2
1 To <- into component 1 (GI)
0 happy or not
-1 Parameter type
2 Integration method <- Fehlberg RKF45 - default
0.000 Relative error
0.000 Absolute error
4 Fitting algorithm <- Simplex->Damping GN - good choice
0.000 PC value
Fit to Oral data - One compartment
1 Data from disk or keyboard
0.000 X value
0.000 Y value
0.500 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
2.600 Y value
2.000 X value
4.200 Y value
2.500 X value
6.000 Y value
3.000 X value
6.600 Y value
4.000 X value
6.500 Y value
6.000 X value
5.300 Y value
9.000 X value
3.700 Y value
12.00 X value
2.600 Y value
24.00 X value
0.6100 Y value
-1.000 X value <- end of data entry
0 Accept, correct, delete, insert, of
0 Continue or save data
1 Weight type
1 AUC line number <- AUC 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
--
When you open onec_cf.OUT you should see the information below
** FINAL OUTPUT FROM Boomer (v3.3.7) ** 10 August 2011 --- 11:16:59 am
Title: Fit to Oral data - One compartment
Input: From onec_cf.BAT
Output: To onec_cf.OUT
Data for [Drug] came from keyboard (or ?.BAT)
Fitting algorithm: Simplex Method
Weighting for [Drug] by 1/Cp(Obs )
Numerical integration method: 2) Fehlberg RKF45
with 2 de(s)
With relative error 0.1000E-03
With absolute error 0.1000E-03
PC = 0.1000E-04
** FINAL PARAMETER VALUES ***
# Name Value S.D. C.V. % Lower <-Limit-> Upper
1) ka 1.4455 0.0 10.
2) kel 0.12003 0.0 1.0
3) V/F 11.939 1.0 0.10E+03
4) tlag 1.4887 0.0 2.0
Final WSS = 0.488497E-03 R^2 = 0.9999 Corr. Coeff = 1.000
AIC = -60.6176 AICc = -50.6176
Log likelihood = 31.4 Schwarz Criteria = -59.8287
R^2 and R - jp1 1.000 1.000
R^2 and R - jp2 1.000 1.000
RMSE = 0.1556E-01 or 0.386 % RMSE
MAE = 0.1259E-01 ME = -0.1180E-03
** FINAL OUTPUT FROM Boomer (v3.3.7) ** 10 August 2011 --- 11:16:59 am
Title: Fit to Oral data - One compartment
Input: From onec_cf.BAT
Output: To onec_cf.OUT
Data for [Drug] came from keyboard (or ?.BAT)
Fitting algorithm: DAMPING-GAUSS/SIMPLEX
Weighting for [Drug] by 1/Cp(Obs )
Numerical integration method: 2) Fehlberg RKF45
with 2 de(s)
With relative error 0.1000E-03
With absolute error 0.1000E-03
DT = 0.1000E-02 PC = 0.1000E-04 Loops = 2
Damping = 1
** FINAL PARAMETER VALUES ***
# Name Value S.D. C.V. % Lower <-Limit-> Upper
1) ka 1.4455 0.140E-01 0.97 0.0 10.
2) kel 0.12003 0.450E-03 0.37 0.0 1.0
3) V/F 11.939 0.322E-01 0.27 1.0 0.10E+03
4) tlag 1.4886 0.288E-02 0.19 0.0 2.0
Final WSS = 0.488481E-03 R^2 = 0.9999 Corr. Coeff = 1.000
AIC = -60.6179 AICc = -50.6179
Log likelihood = 31.4 Schwarz Criteria = -59.8290
R^2 and R - jp1 1.000 1.000
R^2 and R - jp2 1.000 1.000
RMSE = 0.1556E-01 or 0.386 % RMSE
MAE = 0.1260E-01 ME = -0.5435E-04
Model and Parameter Definition
# Name Value Type From To Dep Start Stop
1) ka = 1.445 2 1 2 0 0 0
2) kel = 0.1200 2 2 0 0 0 0
3) V/F = 11.94 18 2 1 0 0 0
4) tlag = 1.489 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 0.136207 0.00000 -0.00000
5 1.750 2.60000 2.59181 0.620174 0.508006E-02
6 2.000 4.20000 4.22888 0.487950 -0.140911E-01
7 2.500 6.00000 5.97307 0.408248 0.109925E-01
8 3.000 6.60000 6.59139 0.389249 0.335265E-02
9 4.000 6.50000 6.51526 0.392232 -0.598667E-02
10 6.000 5.30000 5.30184 0.434372 -0.797223E-03
11 9.000 3.70000 3.70784 0.519875 -0.407702E-02
12 12.00 2.60000 2.58677 0.620174 0.820776E-02
13 24.00 0.610000 0.612657 1.28037 -0.340201E-02
WSS data set 1 = 0.4885E-03 R^2 = 0.9999 Corr. Coeff. = 1.000
R^2 and R - jp1 1.000 1.000
R^2 and R - jp2 1.000 1.000
RMSE = 0.1556E-01 or 0.386 % RMSE
MAE = 0.1260E-01 ME = -0.5435E-04
Maximum value for [Drug] is 6.6000 at 3.000
Calculation of AUC and AUMC based on trapezoidal rule
AUC and AUMC for [Drug] using Observed 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 2.60000 0.325000 0.568750
2.00000 4.20000 1.17500 2.18750
2.50000 6.00000 3.72500 8.03750
3.00000 6.60000 6.87500 16.7375
4.00000 6.50000 13.4250 39.6375
6.00000 5.30000 25.2250 97.4375
9.00000 3.70000 38.7250 195.087
12.0000 2.60000 48.1750 291.837
24.0000 0.610000 67.4350 566.878
72.5171 731.187
AUC and AUMC extrapolated
from the last data point 7.0 % 22.5 %
Terminal half-life 5.77 ( -0.120 )
Secondary Parameters
MRT = 10.083
Half-life values for each first order rate constant
Parameter 1 has a half-life of ka is 0.480
Parameter 2 has a half-life of kel is 5.77
Dose/AUC (= Clearance/F)
Parameter 5 gives Dose/AUC (CL/F) of 1.38
Calculation of AUC and AUMC using Method 9 of R.D. Purves
AUC and AUMC for [Drug] using Observed 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 2.60000 0.309524 0.516518
2.00000 4.20000 1.15312 2.10660
2.50000 6.00000 3.69062 7.85348
3.00000 6.60000 6.84896 16.5514
4.00000 6.50000 13.3988 39.4676
6.00000 5.30000 25.1580 97.8639
9.00000 3.70000 38.5146 196.841
12.0000 2.60000 47.8678 294.226
24.0000 0.610000 64.3389 567.623
69.4210 731.933
AUC and AUMC extrapolated
from the last data point 7.3 % 22.4 %
Terminal half-life 5.77 ( -0.120 )
Secondary Parameters
MRT = 10.543
Half-life values for each first order rate constant
Parameter 1 has a half-life of ka is 0.480
Parameter 2 has a half-life of kel is 5.77
Dose/AUC (= Clearance/F)
Parameter 5 gives Dose/AUC (CL/F) of 1.44
Plots of observed (*) and calculated values (+)
versus time for [Drug] . Superimposed points (X)
6.600 Linear 6.600 Semi-log
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|XXX | +
|_____________________________________ |XX*__________________________________
0.000 0.1362
0 <--> 24. 0 <--> 24.
Plot of Std Wtd Residuals (X) Plot of Std Wtd Residuals (X)
versus time for [Drug] versus log(calc Cp(i)) for [Drug]
1.492 1.492
| X | X
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0XXX======X=========================== 0X================================X===
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| X X | X X
| X | X
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| X | X
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-1.913 -1.913
0.0 <--> 24. 0.14 <--> 6.6