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A note on spectral data simulation

Metz M., Biancolillo A., Lesnoff M., Roger J.M.. 2020. Chemometrics and Intelligent Laboratory Systems, 200 : 10 p..

DOI: 10.1016/j.chemolab.2020.103979

In chemometrics, it is common to simulate data to test new methods. However, it is difficult to find an article that only discusses the spectral data simulation in a global context. Most of the time, the simulation is performed specifically for one method. In this context, it is often difficult to understand the simulation choices and also to carry out a simulation adapted to the problem that one wishes to highlight. A generic simulation framework would allow a better understanding of the simulations carried out and also make them easier to carry out. In this article, a generic framework is proposed to simulate databases representing the problem that one wishes to simulate and facilitating the description of the simulation procedure. This method of simulation is based on the basic principles of chemometrics and allows a simple and fast simulation of data. This will be highlighted by three examples.

Mots-clés : simulation; analyse spectrale; modèle de simulation; données

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