Chemometrics and Chemometrics for Molecular Life Sciences

Until now, during the studies, the main focus has been put on univariate chemical and biological data analysis is. However, most measurements on chemical and biological systems are multivariate. E.g. (N)IR or NMR spectra are measured, which are multivariate by nature. These data deserve techniques which take this multivariate character into account. The courses 'Chemometrics I' (NWI-MOL065) and 'Chemometrics for Molecular Life Sciences' (NWI-MOL109) cover the basic elements of the analysis of chemical data. It focuses on the application of multivariate statistics for visualisation, clustering, classification and calibration. In the menu on the left, you can find the course reader, as well as guides to the computer exercises. The latter are available for Matlab and will be made available for Unscrambler. Data, necessary for the computer exercises, can be downloaded in text format.

The difference between 'Chemometrics I' and 'Chemometrics for Molecular Life Sciences' is that the former is more focussing at a deep understanding of the routines that are used in chemical data analysis, whereas the latter more focusses on the appropriate use of these routines in Molecular Life Sciences using a dedicated software package.

Regarding 'Chemometrics I': although programming is not the goal of the course, some knowledge of and some experience with Matlab are required. You should be able to program a function containing if-then statements and for-loops and you should know how to plot data. In the Exercises guide examples of functions are provided, as well as some guidelines.

As said. during the 'Chemometrics for Molecular Life Sciences' version of the course a dedicated chemical data analysis software package will be used. This will not involve any programming.

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