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Literally (and loosely) translated, the word "chemometrics" means performing calculations on measurements of chemical data. This can be anything from- calculating pH from a measurement of hydrogen ion activity to computing a Fourier transform interpolation of a spectrum.
Regression is a generic term for all methods attempting to fit a model to observed data in order to quantify the relationship between two groups of variables. The fitted model may then be used either to merely describe the relationship between the two groups of variables, or to predict new values.
Classification with the SIMCA (Soft Independent Modeling of Class Analogy) approach is performed by building local descriptive models of known groups and to predict a probable class membership for new observations...
PLS Discriminant Analysis (PLS-DA) is performed in order to sharpen the separation between groups of observations, by hopefully rotating PCA (Principal Components Analysis) components such that a maximum separation among classes is obtained, and to understand which variables carry the class separating information.
Linear regression is a statistical procedure for predicting the value of a dependent variable from an independent variable when the relationship between the variables can be described with a linear model.
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