Abstract
Statistical models have been used to estimate the refractive index of 72 imidazolium-based ionic liquids using the electronic polarisability of their ions as the data for two different mathematical approaches: artificial neural networks, in the form of multi-layer perceptrons, and multiple linear regression models. Although the artificial neural networks and linear models have been able to accomplish this task, the multi-layer perceptron model has been shown to be a more accurate method, thanks to its ability of determining non-linear relationships between different dependent variables. Additionally, it is clear that the multiple linear regression presents a systematic deviation in the estimated refractive index values, which confirms that it is an inappropriate model for this system.
Original language | English |
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Pages (from-to) | 128-134 |
Journal | Physical Chemistry Chemical Physics |
Volume | 16 |
Issue number | 1 |
Early online date | 28 Oct 2013 |
DOIs | |
Publication status | Published - 07 Jan 2014 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- General Physics and Astronomy