Indexed on: 28 Apr '18Published on: 25 Apr '18Published in: Comprehensive Analytical Chemistry
Publication date: Available online 3 April 2018 Source:Comprehensive Analytical Chemistry Author(s): Alessandra Biancolillo, Federico Marini In this chapter, a survey of the chemometric (data analytical) methods most used for the characterization of plant varieties and cultivars based on spectroscopic measurements is presented. After an introductory section, illustrating the basics of data representation, the main tools for exploratory (descriptive) data analysis and predictive modeling are discussed. In particular, how to predict quantitative responses by multivariate calibration methods and how to assess qualitative attributes by means of classification techniques are addressed. Lastly the fundamental role and the importance of validation strategies are also discussed. The application of the methods presented is illustrated through worked examples.