Comparative QSAR Studies of Benzamidine Derivatives via in-silico tool: Chemoinformatics for making better decisions faster in the area of drug lead identification

Thrombosis - localized clotting of the blood - can occur in the arterial or the venous circulation and has a major medical impact. Acute arterial thrombosis is the proximal cause of most cases of myocardial infarction (heart attack) and of about 80% of strokes, collectively the most common cause of death in the developed world. Antiplatelet drugs are used for both the prevention and the acute treatment of arterial thrombosis. These drugs target the activation and the aggregation of platelets. Rivaroxaban is an orally available inhibitor of activated factor X. To enlighten this subject, Benzamidine Derivatives as Factor Xa Inhibitors are the target molecules used for the QSAR studies and an Assessment of Compatibility of Dataset to Statistical Methods is performed by the use of various in silico tools.For model validation the dataset is divided into training set and test set to generate the QSAR model validation report followed by the calibration of the IC-50 value of the representative molecules using MLR, ANN and SVM Methods.