Oct 17, 2019   3:50 p.m. Hedviga
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Course syllabus N400C1_4D - Chemometrics I (FCFT - 2019/2020 - post-graduate studies)


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University: Slovak University of Technology in Bratislava
Faculty: Faculty of Chemical and Food Technology
Course unit code: N400C1_4D
Course unit title: Chemometrics I
Mode of delivery, planned learning activities and teaching methods:
lecture2 hours weekly (on-site method)

 
Credits allocated: 3
 
Recommended semester/trimester: Analytical Chemistry - doctoral (optional), 1. year
Level of study: 3.
Prerequisites for registration: none
 
Assesment methods:
Elaborating a separate final thesis (maximum 40 points) and its presentation (maximum 10 points). Oral and written exam (maximum 50 points).

Final evaluation of success will be carried out according to the grading scale approved by the faculty.
 
Learning outcomes of the course unit:
The student will acquire theoretical and practical knowledge of how to process, evaluate and present data from analytical measurements with targeted use of mathematics, statistics and chemometrics to obtain information in various application areas of qualitative and quantitative analysis.
 
Course contents:
Introduction and problems of data processing in chemical analysis
Types of errors, variability and uncertainty instrumental measurements
Specification and quantification of sources of uncertainty
Calculate the estimate of the uncertainty of the result
Internal and external quality control
Control charts and compare the performance of laboratory methods
Introduction to Chemoinformatics
Representation and visualization of 2D and 3D chemical structures
Search in databases of chemical structures and spectra
Software and applications of Chemoinformatics in the chemical analysis
 
Recommended or required reading:
Basic:
MILLER, J N. -- MILLER, J C. Statistics and Chemometrics for Analytical Chemistry. Harlow: Pearson Education Limited, 2010. 296 p. ISBN 978-0-273-73042-2.
OTTO, M. Chemometrics: Statistics and Computer Application in Analytical Chemistry. Weinheim: Wiley-VCH, 2007. 343 p. ISBN 978-3-527-31418-8.
WILLIAMS, A. -- ELLISON, S L R. EURACHEM/CITAC Guide CG4: Quantifying Uncertainty in Analytical Measurement. UK National Measurement System: EURACHEM/CITAC Working Group, 2012. 141 p.

Recommended:
LEACH, A R. -- GILLET, V J. An Introduction to Chemoinformatics. Dordrecht: Springer, 2007. 256 p. ISBN 978-1-4020-6290-2.
ENGEL, T. -- GASTEIGER, J. Chemoinformatics: A Textbook. Weinheim: Wiley-VCH Verlag GmbH & Co. KGaA, 2003. 680 p. ISBN 978-3-527-30681-7.

 
Language of instruction: slovak and english
 
Notes:
 
Courses evaluation:
Assessed students in total: 10

PN
100,0 %0 %
Name of lecturer(s): prof. Ing. Ján Labuda, DrSc. (person responsible for course) - slovak, english
 
Last modification: 26. 4. 2019
Supervisor: prof. Ing. Ján Labuda, DrSc. and programme supervisor


Last modification made by Ing. Tomáš Molnár on 04/26/2019.

Type of output: