UCL - Chemometrics

[BIRC2106]

[22.5h + 15h] 3 credits

This course is taught in the 1st semester.

Teacher(s): Bernadette Govaerts

Language: French

Level: Second

Aims
Main themes
Other information (prerequisite, evaluation (assessment methods), course materials recommended readings, ...)

Aims

This course gives an introduction to statistical tools for chemistry and analytical chemistry : experimental design, statistical tools for the laboratory and multivariate chemometrics methods.

At the end of the course, the student should recognise the situations where statistical methods are useful in chemistry and will be trained to apply them efficiently.

Main themes

Statistic and measure uncertainty: error types, quantification of error uncertainty, bias analysis, estimation of variance components, control charts, simple linear calibration.
Experimental design in product and process development : methodology, factorial designs, screening designs, design for response surface analysis, mixture designs, multiresponse optimisation.
Multivariate methods in chemistry : principal components analysis, clustering, discriminant analysis and partial least squares with application to multivariate calibration.
The exercises will apply the methodology presented in the course on case studies and with a dedicated statistical software.

Other information (prerequisite, evaluation (assessment methods), course materials recommended readings, ...)

Pré-requis Cours BIR 1203 et Chimie Analytique

Divers Ouvrages de référence proposés :
D.L. Massart, B.G.M. Vandeginste, L.M.C. Buydens, S. De Jong, P.J. Lewi, J. Smeyers-Verbeke. Handbook of chemometrics and qualimetrics. Elsevier; Part A, 1997; Part B, 1998.
G.E.P. Box, N.R. Draper. Empirical model-building and response surfaces. Wiley, 1987.
Brereton R.G., Chemometrics: Data Analysis for the Laboratory and Chemical Plant, Wiley.