One Compartment Model
Oral Dose - Three Sites - Simulation

One compartment Model

Parameters

F*Dose - type 1 parameter, available dose (Dose x F) split into three components, 1, 2 and 3 (absorption site)
ka1,2,3 - one lagtime for each component (absorption site)
tlag1,2,3 - one lagtime for each component (absorption site)
kel, Elimination Rate Constant - type 2 parameter, define the component receiving the drug (0 means the 'outside' not of interest) and the compenent loosing the drug (not 0).
V, Apparent Volume of Distribution - type 18 parameter, define the data set (by number), a short descriptor for the data set (or line) and the component sampled (enter 0 zero if time).

The file, onec_es.BAT. Copy the lines between the markers '--' but not the marker, starting with 'Boomer Batch File'. Paste into a new text document using a simple text editor such as Text Edit (Macintosh) or Notepad (Windows) and save as plain (ascii) text as onec_es.BAT. Start boomer and enter 1 or 3 to use a .BAT file. Enter the .BAT file name onec_es.

--
Boomer Batch File
    2                             wls,bayes,sim,irwls,sim+error,grid 
    1                             Screen, diskfile                   
onec_es                                                      
    2                             Parameter type                     
ka1                                                         
   1.000                          Parameter value                    
    4                             To                                 
    1                             From                               
    0                             happy or not                       
    2                             Parameter type                     
ka2                                                         
   3.000                          Parameter value                    
    4                             To                                 
    2                             From                               
    0                             happy or not                       
    2                             Parameter type                     
ka3                                             <- separate absorption rate constant for each site
   2.000                          Parameter value                    
    4                             To                                 
    3                             From                               
    0                             happy or not                       
    2                             Parameter type                     
kel                                                         
  0.1230                          Parameter value                    
    0                             To                                 
    4                             From                               
    0                             happy or not                       
   18                             Parameter type                     
V                                                           
   12.30                          Parameter value                    
    1                             To                                 
[Drug]                                                      
    4                             From                               
    0                             happy or not                       
    0                             Parameter type                     
tlag1                                                       
   2.000                          Parameter value                    
    0                             happy or not                       
    0                             Parameter type                     
tlag2                                                       
   4.000                          Parameter value                    
    0                             happy or not                       
    0                             Parameter type                     
tlag3                                                  <- Separate tlag for each absorption site
   6.000                          Parameter value                    
    0                             happy or not                       
    1                             Parameter type                     
Dose1                                                       
   25.00                          Parameter value                    
    1                             Start interrupt number             
    1                             To                                 
    0                             happy or not                       
    1                             Parameter type                     
Dose2                                                       
   60.00                          Parameter value                    
    2                             Start interrupt number             
    2                             To                                 
    0                             happy or not                       
    1                             Parameter type                     
Dose3                                                       
   15.00                          Parameter value           <- Dose1, 2 and 3 add up to F*Dose
    3                             Start interrupt number             
    3                             To                                 
    0                             happy or not                       
   -1                             Parameter type                     
    2                             Integration method                 
   0.000                          Relative error                     
   0.000                          Absolute error                     
One compartment - absorption from three sites               
    1                             Data from disk or keyboard         
   0.000                          X value                            
   0.000                          Y value                            
   1.000                          X value                            
   0.000                          Y value                            
   2.000                          X value                            
   0.000                          Y value                            
   2.230                          X value                            
   0.000                          Y value                            
   2.500                          X value                            
   0.000                          Y value                            
   2.750                          X value                            
   0.000                          Y value                            
   3.000                          X value                            
   0.000                          Y value                            
   4.000                          X value                            
   0.000                          Y value                            
   4.250                          X value                            
   0.000                          Y value                            
   4.500                          X value                            
   0.000                          Y value                            
   4.750                          X value                            
   0.000                          Y value                            
   5.000                          X value                            
   0.000                          Y value                            
   6.000                          X value                            
   0.000                          Y value                            
   6.250                          X value                            
   0.000                          Y value                            
   6.500                          X value                            
   0.000                          Y value                            
   6.750                          X value                            
   0.000                          Y value                            
   7.000                          X value                            
   0.000                          Y value                            
   8.000                          X value                            
   0.000                          Y value                            
   9.000                          X value                            
   0.000                          Y value                            
   10.00                          X value                            
   0.000                          Y value                            
   11.00                          X value                            
   0.000                          Y value                            
   12.00                          X value                            
   0.000                          Y value                            
  -1.000                          X value                            
    0                             Accept, correct, delete, insert, of
    0                             Continue or save data              
    0                             AUC line number                    
    2                             Continue,save,plot,supplemental,sen
   -1                             wls,bayes,sim,irwls,sim+error,grid 
--

When you open onec_es.OUT you should see the information below


 ** FINAL OUTPUT FROM Boomer (v3.3.7) **      25 July 2011 ---  3:59:06 pm

 Title:  One compartment - absorption from three sites               
 Input: From onec_es.BAT                                                     
 Output:  To onec_es.OUT                                                     
 Data for [Drug]          came from keyboard (or ?.BAT)                                             
 Fitting algorithm: Simulation                 
 Numerical integration method: 2) Fehlberg RKF45                          
          with  4 de(s)
 With relative error   0.1000E-03
 With absolute error   0.1000E-03

 This simulation took      0.000     seconds

 Model and Parameter Definition

  #  Name                    Value       Type From To     Dep  Start Stop

  1) ka1                 =   1.000        2    1    4       0    0    0
  2) ka2                 =   3.000        2    2    4       0    0    0
  3) ka3                 =   2.000        2    3    4       0    0    0
  4) kel                 =  0.1230        2    4    0       0    0    0
  5) V                   =   12.30       18    4    1       0    0    0
  6) tlag1               =   2.000        0    0    0       0    0    0
  7) tlag2               =   4.000        0    0    0       0    0    0
  8) tlag3               =   6.000        0    0    0       0    0    0
  9) Dose1               =   25.00        1    0    1       0    1    0
 10) Dose2               =   60.00        1    0    2       0    2    0
 11) Dose3               =   15.00        1    0    3       0    3    0

 Data for [Drug]          :-

 DATA #   Time       Observed      Calculated    (Weight)  Weighted residual

     1    0.000       0.00000       0.00000       0.00000       0.00000    
     2    1.000       0.00000       0.00000       0.00000       0.00000    
     3    2.000       0.00000       0.00000       0.00000       0.00000    
     4    2.230       0.00000      0.411540       0.00000      -0.00000    
     5    2.500       0.00000      0.773662       0.00000      -0.00000    
     6    2.750       0.00000       1.01860       0.00000      -0.00000    
     7    3.000       0.00000       1.19676       0.00000      -0.00000    
     8    4.000       0.00000       1.49853       0.00000      -0.00000    
     9    4.250       0.00000       4.04289       0.00000      -0.00000    
    10    4.500       0.00000       5.16209       0.00000      -0.00000    
    11    4.750       0.00000       5.60657       0.00000      -0.00000    
    12    5.000       0.00000       5.73171       0.00000      -0.00000    
    13    6.000       0.00000       5.33925       0.00000      -0.00000    
    14    6.250       0.00000       5.66388       0.00000      -0.00000    
    15    6.500       0.00000       5.78789       0.00000      -0.00000    
    16    6.750       0.00000       5.79255       0.00000      -0.00000    
    17    7.000       0.00000       5.72693       0.00000      -0.00000    
    18    8.000       0.00000       5.20440       0.00000      -0.00000    
    19    9.000       0.00000       4.62288       0.00000      -0.00000    
    20    10.00       0.00000       4.09135       0.00000      -0.00000    
    21    11.00       0.00000       3.61856       0.00000      -0.00000    
    22    12.00       0.00000       3.19995       0.00000      -0.00000    
      Plots of observed (*) and calculated values (+)
           versus time for [Drug]         . Superimposed points (X)

    5.793      Linear                      5.793      Semi-log
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 |X  X  X***  ****  ****  *  *  *  *  *  |      +                              
 |_____________________________________  |X__X__X***__****__****__*__*__*__*__*
    0.000                                 0.4115    
 0              <-->             12.     0              <-->             12.

One Compartment Model Oral Dose - Three Sites - Simulation

Parameters

One Compartment Model
Oral Dose - Three Sites - Simulation