Simple method for assessment of activities of thrombin inhibitors through their molecular structure parameters.

Thrombi (blood clots) form in blood vessels in thromboembolic disorders, which are among the main reasons for death in the world. A novel approach is presented to predict thrombin inhibitory activities ((log(10/K) (nM)) of some classes of non-peptidic thrombin inhibitors. The largest reported data set of log(10/K) for 260 thrombin inhibitors are used to derive and test the new model where it can be easily applied through a computer code.