Boomer v2.7.7 Instructions
Red Text Lines are Instructions
Blue Characters are user entries
A) Start Boomer by double-clicking on the Boomer
Boomer v2.7.7
David W.A. Bourne
OU College of Pharmacy
1110 N.Stonewall Ave.
Oklahoma City, OK 73117-1223
U.S.A. Copyright 1986-1998 D.W.A. Bourne
david@boomer.org
Comput.Meth.Prog.Biomed.,29 (1989) 191-195
Original MULTI by K. Yamaoka, et.al.
J. Pharmacobio-Dyn., 4,879-885(1981)
J. Pharmacobio-Dyn., 6,595-606(1983)
J. Pharmacobio-Dyn., 8,246-256(1985)
DATA ENTRY
0) From KEYBOARD
1) From .BAT file
2) From KEYBOARD creating .BAT file
3) From .BAT file (quiet mode)
4) to enter data only
5) to calculate AUC from a .DAT file
-1) From .BAT file (with restart)
-3) From .BAT file (quiet mode-with restart)
-8) Shareware Registration Information
-9) to quit
Enter choice (0-5, -1, -3, -8 or -9) 0
METHOD OF ANALYSIS
0) Normal fitting
1) Bayesian
2) Simulation only
3) Iterative Reweighted Least Squares
4) Simulation with random error
5) Grid Search
-3) To run random number test subroutine
-2) To close (or open) .BAT file
-1) To finish
Enter choice (-3 to 5) 0
Where do you want the output?
0) Terminal screen
1) Disk file
Enter choice (0-1) 0
MODEL Definition and Parameter Entry * Parameter Types Allowed *
-3) display choices -2) display parameters -1) to finish entry
0) Time interrupt 1) Dose/initial amount 2) First order rate
3) Zero order 4-5) Vm and Km of Michaelis-Menten
6) Added constant 7) Kappa-Reciprocal volume
8-10) C = a * EXP(-b * (X-c))
11-13) Emax (Hill) Eq with Ec(50%) & S term 14) Second order rate
15-17) Physiological Model Parameters (Q, V, and R)
18) Apparent volume of distribution 19) Dummy parameter for double dependence
20-22) C = a * SIN(2¹ * (X - c)/b)
Special Functions for First-order Rate Constants
23-24) k = a * X + b 25-27) k = a * EXP(-b * (X - c))
28-30) k = a * SIN(2¹ * (X - c)/b)
31,32-33) dAt/dt = - k * V * Cf (Saturable Protein Binding)
34-36) k * (1 - Imax * C/(IC(50%) + C)) Inhibition 0 or 1st order
37-39) k * (1 + Smax * C/(SC(50%) + C)) Stimulation 0 or 1st order
Enter type# for parameter 1 (-3 to 39) 1
Enter parameter name Dose
Enter Dose value 250
0) fixed, 1) adjustable, 2) single dependence
or 3) double dependence 0
Enter component to receive dose 1
Input summary for Dose (type 1)
Fixed value is 250.0
Dose/initial amount added to 1
Enter 0 if happy with input, 1 if not, 2 to start over 0
Enter type# for parameter 2 (-3 to 39)
enter -3 to see choices Enter -1 to exit this section 2
Enter parameter name kel
Enter kel value 0.5
0) fixed, 1) adjustable, 2) single dependence
or 3) double dependence 1
Enter lower limit 0.1
Enter upper limit 2.5
Enter component to receive flux 0
Enter component to lose flux 1
Input summary for kel (type 2)
Initial value 0.5000 float between 0.1000 and 2.500
Transfer from 1 to 0
Enter 0 if happy with input, 1 if not, 2 to start over 0
Enter type# for parameter 3 (-3 to 39)
enter -3 to see choices Enter -1 to exit this section 18
Enter parameter name V
Enter V value 20
0) fixed, 1) adjustable, 2) single dependence
or 3) double dependence 1
Enter lower limit 2
Enter upper limit 200
Enter data set (line) number 1
Enter line description [Cp]
Enter component number (0 for obs x) 1
Input summary for V (type 18)
Initial value 20.00 float between 2.000 and 200.0
Component 1 added to line 1
Enter 0 if happy with input, 1 if not, 2 to start over 0
Enter type# for parameter 4 (-3 to 39)
enter -3 to see choices Enter -1 to exit this section -1
Method of Numerical Integration
0) Classical 4th order Runge-Kutta
1) Runge-Kutta-Gill
2) Fehlberg RKF45
3) Adams Predictor-Corrector with DIFSUB
4) Gears method for stiff equations with PEDERV
5) Gears method without PEDERV
Enter choice (0-5) 2
Enter Relative error term for
Numerical integration (0.0001) 0
Enter Absolute error term for
Numerical integration (0.0001) 0
FITTING METHODS
0) Gauss-Newton
1) Damping Gauss-Newton
2) Marquardt
3) Simplex
4) Simplex->Damping GN
Enter Choice (0-4) 4
Enter PC for convergence (0.00001)
Enter description for this analysis: First Example
Enter data from
0) Disk file 2) ...including weights
1) Keyboard 3) ...including weights
Enter Choice (0-3) 1
Enter data for [Cp]
Enter x-value (time) = -1 to finish data entry
X-value (time) 1
Y-value (concentration) 8
X-value (time) 2
Y-value (concentration) 5
X-value (time) 3
Y-value (concentration) 2.6
X-value (time) 5
Y-value (concentration) 0.9
X-value (time) 6
Y-value (concentration) 0.56
X-value (time) -1
Data for [Cp]
DATA # Time Concentration
1 1.000 8.000
2 2.000 5.000
3 3.000 2.600
4 5.000 0.9000
5 6.000 0.5600
Do you want to
0) Accept data
1) Correct data point
2) Delete data point
3) Insert new data point
4) Add offset to x-value
Enter choice (0-3) 0
Save Observed Data to Disk Module
Data for [Cp]
Select FORMAT for x-value
0) Don't save data
1) G14.1 2) G14.2
3) G14.3 4) G14.4
5) G14.5 6) G14.6
7) F14.0 8) F14.1
9) F14.2 10) F14.3
11) F14.4 12) F14.5
13) F14.6
Enter choice (0-13) 0
Weighting function entry for [Cp]
0) Equal weights
1) Weight by 1/Cp(i)
2) Weight by 1/Cp(i)^2
3) Weight by 1/a*Cp(i)^b
4) Weight by 1/(a + b*Cp(i)^c)
5) Weight by 1/((a+b*Cp(i)^c)*d^(tn-ti))
Data weight as a function of Cp(Obs)
Enter choice (0-5) 2
Time Concentration Weight
1.000 8.000 0.1563E-01
2.000 5.000 0.4000E-01
3.000 2.600 0.1479
5.000 0.9000 1.235
6.000 0.5600 3.189
0.5000 20.00
WSS -> 0.4643E-01
0.4859 20.42
WSS -> 0.9122E-01
0.4433 20.75
WSS -> 0.5168
Progressive values of WSS
Loop 1 -
1> 0.4643E-01 2> 0.9122E-01 3> 0.5168
Loop 2 -
1> 0.4643E-01 2> 0.9122E-01 3> 0.4688E-01
Loop 3 -
1> 0.4643E-01 2> 0.3330E-01 3> 0.4688E-01
Loop 4 -
1> 0.4643E-01 2> 0.3330E-01 3> 0.2418E-01
Loop 5 -
1> 0.1814E-01 2> 0.3330E-01 3> 0.2418E-01
Loop 6 -
1> 0.1814E-01 2> 0.1872E-01 3> 0.2418E-01
Loop 7 -
1> 0.1814E-01 2> 0.1872E-01 3> 0.1852E-01
Loop 8 -
1> 0.1814E-01 2> 0.1783E-01 3> 0.1852E-01
Loop 9 -
1> 0.1814E-01 2> 0.1783E-01 3> 0.1757E-01
Loop 10 -
1> 0.1716E-01 2> 0.1783E-01 3> 0.1757E-01
Loop 11 -
1> 0.1716E-01 2> 0.1703E-01 3> 0.1757E-01
Loop 12 -
1> 0.1716E-01 2> 0.1703E-01 3> 0.1651E-01
Loop 13 -
1> 0.1652E-01 2> 0.1703E-01 3> 0.1651E-01
Loop 14 -
1> 0.1652E-01 2> 0.1588E-01 3> 0.1651E-01
Loop 15 -
1> 0.1562E-01 2> 0.1588E-01 3> 0.1651E-01
Loop 16 -
1> 0.1562E-01 2> 0.1588E-01 3> 0.1507E-01
Loop 17 -
1> 0.1562E-01 2> 0.1543E-01 3> 0.1507E-01
Loop 18 -
1> 0.1441E-01 2> 0.1543E-01 3> 0.1507E-01
Loop 19 -
1> 0.1441E-01 2> 0.1234E-01 3> 0.1507E-01
Loop 20 -
1> 0.1441E-01 2> 0.1234E-01 3> 0.1223E-01
Loop 21 -
1> 0.8715E-02 2> 0.1234E-01 3> 0.1223E-01
Loop 22 -
1> 0.8715E-02 2> 0.8935E-02 3> 0.1223E-01
Loop 23 -
1> 0.8715E-02 2> 0.8935E-02 3> 0.9258E-02
Loop 24 -
1> 0.8715E-02 2> 0.8935E-02 3> 0.8745E-02
Loop 25 -
1> 0.8715E-02 2> 0.8692E-02 3> 0.8745E-02
Loop 26 -
1> 0.8715E-02 2> 0.8692E-02 3> 0.8652E-02
Loop 27 -
1> 0.8642E-02 2> 0.8692E-02 3> 0.8652E-02
Loop 28 -
1> 0.8642E-02 2> 0.8651E-02 3> 0.8652E-02
Loop 29 -
1> 0.8642E-02 2> 0.8651E-02 3> 0.8640E-02
Loop 30 -
1> 0.8642E-02 2> 0.8640E-02 3> 0.8640E-02
Loop 31 -
1> 0.8637E-02 2> 0.8640E-02 3> 0.8640E-02
Loop 32 -
1> 0.8637E-02 2> 0.8640E-02 3> 0.8639E-02
Loop 33 -
1> 0.8637E-02 2> 0.8637E-02 3> 0.8639E-02
Loop 34 -
1> 0.8637E-02 2> 0.8637E-02 3> 0.8637E-02
Loop 35 -
1> 0.8637E-02 2> 0.8637E-02 3> 0.8637E-02
Loop 36 -
1> 0.8637E-02 2> 0.8637E-02 3> 0.8637E-02
Loop 37 -
1> 0.8637E-02 2> 0.8637E-02 3> 0.8637E-02
** FINAL OUTPUT FROM Boomer (v2.7.7) ** 08-Mar-1999 --- 3:22:56 pm
Title: First Example
Input: From Keyboard
Output: To Computer Screen
Data for [Cp] came from keyboard (or ?.BAT)
Fitting algorithm: Simplex Method
Weighting for [Cp] by 1/Cp(Obs )^2
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 0.54069 0.10 2.5
2) V 18.064 2.0 0.20E+03
AIC = -19.7584 Final WSS = 0.863710E-02
R-squared = 0.9998 Correlation Coeff = 0.9985
Initial WSS value is 0.863710E-02
** FINAL OUTPUT FROM Boomer (v2.7.7) ** 08-Mar-1999 --- 3:22:56 pm
Title: First Example
Input: From Keyboard
Output: To Computer Screen
Data for [Cp] came from keyboard (or ?.BAT)
Fitting algorithm: DAMPING-GAUSS/SIMPLEX
Weighting for [Cp] by 1/Cp(Obs )^2
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 0.54067 0.131E-01 2.4 0.10 2.5
2) V 18.064 0.916 5.1 2.0 0.20E+03
AIC = -19.7585 Final WSS = 0.863707E-02
R-squared = 0.9998 Correlation Coeff = 0.9985
Model and Parameter Definition
# Name Value Type From To Dep Start Stop
1) Dose = 250.0 1 0 1 0 0 0
2) kel = 0.5407 2 1 0 0 0 0
3) V = 18.06 18 1 1 0 0 0
Data for [Cp] :-
DATA # Time Calculated Observed (Weight) Weighted residual
1 1.000 8.05967 8.00000 0.125000 -0.745833E-02
2 2.000 4.69359 5.00000 0.200000 0.612826E-01
3 3.000 2.73333 2.60000 0.384615 -0.512822E-01
4 5.000 0.926951 0.900000 1.11111 -0.299458E-01
5 6.000 0.539815 0.560000 1.78571 0.360454E-01
WSS for data set 1 = 0.8637E-02
R-squared = 0.9998 Correlation Coeff = 0.9985
Calculation of AUC and AUMC section
0) Exit this section
1) [Cp]
Enter line # for required AUC (0- 1) 1
Maximum value for [Cp] is 8.0000 at 1.000
Calculation of AUC and AUMC based on trapezoidal rule
AUC and AUMC for [Cp] using Observed data
Time Concentration AUC AUMC
1.00000 8.00000
** Note that first time point is not zero **
2.00000 5.00000 6.50000 9.00000
3.00000 2.60000 10.3000 17.9000
5.00000 0.900000 13.8000 30.2000
6.00000 0.560000 14.5300 34.1300
15.5657 42.2601
MRT = 2.7149
Calculation of AUC and AUMC using Method 9 of R.D. Purves
AUC and AUMC for [Cp] using Observed data
Time Concentration AUC AUMC
1.00000 8.00000
** Note that first time point is not zero **
2.00000 5.00000 6.38293 9.32531
3.00000 2.60000 10.0531 18.3021
5.00000 0.900000 13.2580 30.5654
6.00000 0.560000 13.9746 34.4785
15.0103 42.6086
MRT = 2.8386
Calculation of AUC and AUMC section
0) Exit this section
1) [Cp]
Enter line # for required AUC (0- 1) 0
GRAPH OUTPUT
0) Continue without graphical output
1) Save data on disk for later graphing
2) Produce a printer plot now
3) Save for later and print now
Enter choice (0-3) 2
Plots of observed (*) and calculated values (+)
versus time for [Cp] . Superimposed points (X)
8.060 Linear 8.060 Semi-log
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|_____________________________________ |_____________________________________
0.5398 0.5398
0 <--> 6.0 0 <--> 6.0
Plot of Std Wtd Residuals (X) Plot of Std Wtd Residuals (X)
versus time for [Cp] versus calcd Cp(i) for [Cp]
1.142 1.142
| X | X
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| X |X
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0===================================== 0=====================================
|X | X
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| X | X
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| X | X
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-0.9557 -0.9557
1.0 <--> 6.0 0.54 <--> 8.1
METHOD OF ANALYSIS
0) Normal fitting
1) Bayesian
2) Simulation only
3) Iterative Reweighted Least Squares
4) Simulation with random error
5) Grid Search
-3) To run random number test subroutine
-2) To close (or open) .BAT file
-1) To finish
Enter choice (-3 to 5) -1