Abstract: Fisher Linear Discriminant Analysis (FLDA) is one of the most popular techniques used in classification applying dimensional reduction. The numerical scheme involves the inversion of the within-class scatter matrix, which makes FLDA potentially ill-conditioned when it becomes singular. In this paper we present a novel explicit formulation of FLDA in terms of the eccentricity ratio and eigenvector orientations of the within-class scatter matrix. An analysis of this function will characterize those situations where FLDA response is not reliable because of numerical instability. This can solve common situations of poor classification performance in computer vision.

Abstract: Empirical and mechanistic models differ in their approaches to the analysis of pharmacological effect. Whereas the parameters of the former are not physical constants those of the latter embody the nature, often complex, of biology. Empirical models are exclusively used for curve fitting, merely to characterize the shape of the E/[A] curves. Mechanistic models, on the contrary, enable the examination of mechanistic hypotheses by parameter simulation. Regretfully, the many parameters that mechanistic models may include can represent a great difficulty for curve fitting, representing, thus, a challenge for computational method development. In the present study some empirical and mechanistic models are shown and the connections, which may appear in a number of cases between them, are analyzed from the curves they yield. It may be concluded that systematic and careful curve shape analysis can be extremely useful for the understanding of receptor function, ligand classification and drug discovery, thus providing a common language for the communication between pharmacologists and medicinal chemists.