One compartment Model (kel/V)
One compartment Model (kel/V)
--
Boomer Batch File
0 wls,bayes,sim,irwls,sim+error,grid
1 Screen, diskfile
onec_af <- output to onec_bf
1 Parameter type <- start of Dose input
Dose
100.0 Parameter value
0 Fixed,adjust,depend1,depend2
1 To <- into component 1 (central)
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
1 From
0 happy or not
18 Parameter type <- start of V input
V
12.00 Parameter value
1 Fixed,adjust,depend1,depend2
1.000 Lower limit
100.0 Upper limit
1 To
[Drug]
1 From
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
One compartment Single IV Bolus - Fit
1 Data from disk or keyboard
0.000 X value
0.000 Y value
1.000 X value
7.200 Y value
2.000 X value
6.400 Y value
4.000 X value
5.000 Y value
6.000 X value
3.900 Y value
9.000 X value
2.700 Y value
12.00 X value
1.900 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_af.OUT you should see the information below
** FINAL OUTPUT FROM Boomer (v3.3.6a) ** 4 July 2011 --- 7:17:04 pm
Title: One compartment Single IV Bolus - Fit
Input: From Keyboard
Output: To onec_af.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 1 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) kel 0.12200 0.0 1.0
2) V 12.282 1.0 0.10E+03
Final WSS = 0.377150E-03 R^2 = 0.9999 Corr. Coeff = 1.000
AIC = -43.2972 AICc = -39.2972
Log likelihood = 20.5 Schwarz Criteria = -43.7137
R^2 and R - jp1 0.9999 1.000
R^2 and R - jp2 0.9999 1.000
RMSE = 0.1450E-01 or 0.481 % RMSE
MAE = 0.1299E-01 ME = -0.1780E-04
** FINAL OUTPUT FROM Boomer (v3.3.6a) ** 4 July 2011 --- 7:17:04 pm
Title: One compartment Single IV Bolus - Fit
Input: From Keyboard
Output: To onec_af.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 1 de(s)
With relative error 0.1000E-03
With absolute error 0.1000E-03
DT = 0.1000E-02 PC = 0.1000E-04 Loops = 1
Damping = 1
** FINAL PARAMETER VALUES ***
# Name Value S.D. C.V. % Lower <-Limit-> Upper
1) kel 0.12200 0.507E-03 0.42 0.0 1.0
2) V 12.282 0.327E-01 0.27 1.0 0.10E+03
Final WSS = 0.377148E-03 R^2 = 0.9999 Corr. Coeff = 1.000
AIC = -43.2972 AICc = -39.2972
Log likelihood = 20.5 Schwarz Criteria = -43.7137
R^2 and R - jp1 0.9999 1.000
R^2 and R - jp2 0.9999 1.000
RMSE = 0.1450E-01 or 0.481 % RMSE
MAE = 0.1299E-01 ME = -0.6304E-04
Model and Parameter Definition
# Name Value Type From To Dep Start Stop
1) Dose = 100.0 1 0 1 0 0 0
2) kel = 0.1220 2 1 0 0 0 0
3) V = 12.28 18 1 1 0 0 0
Data for [Drug] :-
DATA # Time Observed Calculated (Weight) Weighted residual
1 0.000 0.00000 8.14214 0.00000 -0.00000
2 1.000 7.20000 7.20702 0.372678 -0.261762E-02
3 2.000 6.40000 6.37930 0.395285 0.818125E-02
4 4.000 5.00000 4.99813 0.447214 0.835932E-03
5 6.000 3.90000 3.91599 0.506370 -0.809903E-02
6 9.000 2.70000 2.71577 0.608581 -0.959584E-02
7 12.00 1.90000 1.88340 0.725476 0.120412E-01
WSS data set 1 = 0.3771E-03 R^2 = 0.9999 Corr. Coeff. = 1.000
R^2 and R - jp1 0.9999 1.000
R^2 and R - jp2 0.9999 1.000
RMSE = 0.1450E-01 or 0.481 % RMSE
MAE = 0.1299E-01 ME = -0.6304E-04
Maximum value for [Drug] is 7.2000 at 1.000
Calculation of AUC and AUMC based on trapezoidal rule
AUC and AUMC for [Drug] using Observed data
Time Concentration AUC AUMC
0.00000 ( 8.14214 )
1.00000 7.20000 7.67107 3.60000
2.00000 6.40000 14.4711 13.6000
4.00000 5.00000 25.8711 46.4000
6.00000 3.90000 34.7711 89.8000
9.00000 2.70000 44.6711 161.350
12.0000 1.90000 51.5711 232.000
67.1451 546.545
AUC and AUMC extrapolated
from the last data point 23.2 % 57.6 %
Secondary Parameters
MRT = 8.1398
Half-life values for each first order rate constant
Parameter 2 has a half-life of kel is 5.68
Dose/AUC (= Clearance/F)
Parameter 1 gives Dose/AUC (CL/F) of 1.49
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 ( 8.14214 )
1.00000 7.20000
2.00000 6.40000 11.7333 13.8667
4.00000 5.00000 23.0758 47.4279
6.00000 3.90000 31.9303 91.3341
9.00000 2.70000 41.7202 163.861
12.0000 1.90000 48.5501 234.975
64.1241 549.521
AUC and AUMC extrapolated
from the last data point 24.3 % 57.2 %
Secondary Parameters
MRT = 8.5696
Half-life values for each first order rate constant
Parameter 2 has a half-life of kel is 5.68
Dose/AUC (= Clearance/F)
Parameter 1 gives Dose/AUC (CL/F) of 1.56
Plots of observed (*) and calculated values (+)
versus time for [Drug] . Superimposed points (X)
8.142 Linear 8.142 Semi-log
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0.000 1.883
0 <--> 12. 0 <--> 12.
Plot of Std Wtd Residuals (X) Plot of Std Wtd Residuals (X)
versus time for [Drug] versus log(calc Cp(i)) for [Drug]
1.386 1.386
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0X===========X======================== 0========================X===========X
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-1.105 -1.105
0.0 <--> 12. 1.9 <--> 8.1