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4.4.3 CoMSIA Summary

CoMSIA has been used to successfully identify structural differences between 72 benzamidine inhibitors binding to trypsin, thrombin and factor Xa [Ref. 31].

CoMSIA field methods have been shown to be of comparative statistical significance to traditional CoMFA models, but with somewhat easier to interpret isocontour surface maps [Ref. 29]. The partitioning into 5 fields allows the attribution of physical meaning to the contours, especially when the receptor environment is also taken into consideration [Ref. 32]. CoMSIA has already proven useful in ranking and designing candidates for combinatorial libraries [Ref. 29].