Bioavailability of a molecule in vivo (in your case a mixture of many molecules) depends on many factors:"

1. Chemical nature, which determines their solubility in water versus fat

2. If some plasma proteins bind to the molecule and deliver them to certain organs preferentially.

3. If certain cells in certain organs have specific binding proteins in their cell membranes.

4. Metabolic profile of the molecule, which metabolizes it to a product which may or may have greater, less or no activity of interest.

5. How long this molecule survives in vivo in different compartments.

6. Effect of delivery system (your tablet) on all of the above.

The above are just a few things to consider about one molecule. Your plant concoction is likely to be a fairly complex mixture of molecules, potentially each with its own profile.

I expect that majority of the ingredients in your mixture are not fully defined. I am not aware of any "computational model" that can give you an accurate enough bioavailability profile of such a complex system. All these computational models can only work on the basis of the information and assumptions included in their programming... by people. 

Dear Sir

       Yes U are right. My compound is a pure alkaloid and defined. I formulated tablets based on the efficiency of compound in invivo experiments. The main aim of insilico studies to reduce the experimental animals.

For getting experimental animals and approval by IAEC is a very long process. And also the reputed journals are dont like too much of animal experiments. For this reason I am looking some computational models.

I read some articles, they were used STELLA software to analyse the Bioavailability. If you know something about that please inform me.

Thanks for your information.

If you know the structure of a compound, their dissolution profiles based on their ionization potential and hydrophobicity can be predicted and that pattern can be correlated with plausible bioavailability in vivo. Software such as STELLA allow one to run through various scenarios and may help you reduce the number of doses you may have to test in vivo, and thereby number of animals to be used.

Good luck! 

Thank you sir!