Electrostatic and Topological Features as Predictors of Antifungal Potential of Oxazolo Derivatives as Promising Compounds in Treatment of Infections Caused by Candida albicans
Abstract:The results presented in this study include the prediction of the antifungal activity of 24 oxazolo derivatives based on their topological and electrostatic molecular descriptors, derived from the 2D molecular structures. The artificial neural network (ANN) method was applied as a regression tool. The input data for ANN modeling were selected by stepwise selection (SS) procedure. The ANN modeling resulted in three networks with the outstanding statistical characteristics. High predictivity of the established n… Show more
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