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European journal of medicinal chemistry

QSAR study of neuraminidase inhibitors based on heuristic method and radial basis function network.


PMID 18255197

Abstract

Neuraminidase (NA) is a critical enzyme of the influenza virus and many inhibitors targeting this enzyme are quite efficient anti-influenza agents. In this paper, quantitative structure-activity relationship (QSAR) method was used to predict the activity of different kinds of 46 NA inhibitors. Heuristic method (HM) and radial basis function network (RBFNN) were first used to build linear and nonlinear models, respectively. The prediction results were in agreement with the experimental value. The proposed model is simple and can be extended to other QSAR investigations.

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D9050
N-Acetyl-2,3-dehydro-2-deoxyneuraminic acid, ≥93%
C11H17NO8