In Simbiology, is there a standard way to identify the number of compartment a drug follows?
Identification of model (one compartment, two compartments or three compartments) which a drug follows is an important step before population pharmacokinetic modeling. I am aware that the graph between the concentration vs time, gives an idea of the number of compartment a drug follows.
But is there a standard way to explore and determine the number of compartment a drug follows in a more objective manner. This would also be helpful to determine the model in which the data needs to be fit. In addition, a note on determining the order of reaction is also welcomed and would make the discussion complete.
3 Comments
Time Descending
Praveen, The model selection is often driven primarily by visualization of data (as you mentioned in your post) and accounting any prior information (if available). In many cases, it is difficult to get clear indication of whether your data follows 2-cmpartment or 1-cmpartment model etc. In these situation, one should try to evaluate both model and compate fits. You can also use AIC/BIC criteria for model selection. I am not aware of any automated tool to compare the model fits in simbiology. It may be useful to have such feature (example one that is available in Phoenix) which can allow to objective function with both model fits, covariate information and GOF plots.
SimBiology has a task data comparison tool that allows you to compare different fits (make sure the fits are each saved as task results!) by AIC, BIC, loglikelihood etc., see the screenshots below.
Dear Sietse Braakman,
Yes, I use task data comparison for selecting the compartment and for selection of optimization algorithms. Thanks for the guidance.
Regards.
