course-details-portlet

TKJ4175 - Chemometrics

About

Examination arrangement

Examination arrangement: Home examination
Grade: Passed/Failed

Evaluation Weighting Duration Grade deviation Examination aids
Hjemmeeksamen 100/100 4 hours

Course content

The course is an introduction to applied chemometrics and very relevant to data analysis within chemoinformatics, bioinformatics and process chemistry.
Methods covered are: Classical least squares method and polynomial regression. Experimental design method such as full and fractional factorial design. Preprocessing methods such as normalisation, Fourier filtering, Savitsky-Golay numerical differentiation, convolution, multiplicative scatter correction, autoscaling. Latent variable methods such as principal component analysis/singular value decomposition, principal component regression, partial least squares regression. Model validation using test set, cross validation, bootstrap and y-randomisation. Cluster analysis techniques such as hierarchical cluster analysis, k-means cluster analysis and «gap» statistic. Classification methods such as random forest, CART and k-nearest neighbour method. Multivariate curve resolution methods such as evolving factor analysis, alternating least squares and local rank analysis.

Learning outcome

After completing the course, the student should be able to:
(1) Set up, analyse and interpret results from an experimental design
(2) Choose what type of preprocessing methods are necessary in different situations
(3) Make use of unsupervised methods such as PCA and cluster analysis to analyse and interpret multivariate data sets
(4) Make use of regression methods such as PLS and PCR to analyse, interpret and predict multivariate data sets
(5) Make use of validation methods to check the predictive ability of various models
(6) Be able to explain the strengths and weaknesses of both supervised and unsupervised methods

Learning methods and activities

Lectures. Computer exercises and calculating exercises.

Further on evaluation

If there is a re-sit exam, the examination form may be changed from written to oral.

Course materials

Is given in the beginning of the course.

Credit reductions

Course code Reduction From To
SIK3049 7.5
KJ8175 7.5
More on the course

Facts

Version: 1
Credits:  7.5 SP
Study level: Second degree level

Coursework

Term no.: 1
Teaching semester:  SPRING 2020

Language of instruction: English, Norwegian

Location: Trondheim

Subject area(s)
  • Analytical Chemistry
  • Chemometrics
  • Physical Chemistry
  • Chemistry
  • Technological subjects
Contact information
Course coordinator:

Department with academic responsibility
Department of Chemistry

Examination

Examination arrangement: Home examination

Term Status code Evaluation Weighting Examination aids Date Time Examination system Room *
Spring ORD Hjemme-eksamen 100/100

Release
2020-05-14

Submission
2020-05-14


09:00


13:00

INSPERA
Room Building Number of candidates
  • * The location (room) for a written examination is published 3 days before examination date. If more than one room is listed, you will find your room at Studentweb.
Examination

For more information regarding registration for examination and examination procedures, see "Innsida - Exams"

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