This paper proposes a multiobjective formulation for variable selection in multivariate calibration problems in order to improve the generalization ability of the calibration model. The authors applied this proposed formulation in the multiobjective genetic algorithm NSGA-II. The formulation consists in two conflicting objectives: minimize the prediction error and minimize the number of selecte...

calibration transfer method is evaluated by transferring multivariate models between two equivalent near-infrared (NIR) analyzers for the prediction of A an Active Pharmaceutical Ingredient (API) in tablets. The method includes selecting a few representative samples, building a transformation relation, and standardizing spectra. Backward and forward transfer approaches are compared. A practical...

Corresponding Author: Anderson Silva Soares Federal University of Goias, Goiania, Brazil Email: [email protected] Abstract: One of the main problems of quantitative analytical chemistry is to estimate the concentration of one or more species from the values of certain physicochemical properties of the system of interest. For this it is necessary to construct a calibration model, i.e., to dete...