yes, you can use docking program

Thanks Ifeanyi and Ghassab

You can use the basic information of the drugs and drug interactions checker software programs.

A small question but a large answer I would say.  It depends if you want to assess DDI between 2 marketed drugs or DDI between a compound in development (New chemical entity [NCE]) and a marketed drugs.  For the first scenario, as mentioned, you have different alternative and database available (Aureus, university of Washington, ...) since most of the required information to make the prediction is already available in the literature.  For the 2nd, you will have to generate the relevant information (mainly in vitro) of your NCE depending on the kind of DDI you want to predict (as drug victim or drug perpetrator) but this is quite long to deatil here.  Hope it helps 

Hi! Check this website: http://www.medbase.fi/en/professionals/sfinx.

You also can use a French database called STABILIS. Very good program. Here is the link : http://www.stabilis.org 

The data bases and the monogrames give the answer to logical and possible drug-drug interactions or drug chemical known interactions. However there are rare idyosincratic reactions and interactions that are limited to a small number of individuals sensitive to one therapeutic pr a combination of drugs. To identify the drug to which the specific individual reacted with an adverse event you need to perform in vitro lymphocyte toxicity assay(s)

Neuman MG, Malkiewicz IM, Shear NH. 2000. A Novel Lymphocyte Toxicity Assay to Assess Drug Hypersensitivity Syndromes. Clin Biochem. 33(7): 517–524.

At the Pharmacy Dept. of the hospital of Ho Chi Minh City Medicine and Pharmacy University, we use the software Drug Facts and Comparisons well as increase the role of the Clinical Pharmacist to detect and prevent drug drug interactions.

Simply to predict DDI without checking any databases:

1- some are CYP-450 liver enzyme inducer which will decrease the effect of other drugs so the dose may need to be increased.

2- on the other hand , some are liver enzyme inhibitors which will increase the blood conc. and or risk of toxicity so requiring dose adjustment or discontinuation .

3- some drugs like PPI and H2-receptor blocker decrease the gastric acidity so decrease absorption of other drugs.

I am sorry I didn't see the full question , I saw only 1st part of DDI but if you need computer program there are many available for example : we  use in our hospital Hamad General Hospital : lexi-comp & micromedix .