A QSPR study on the liquid crystallinity of five-ring bent-core molecules using decision trees, MARS and artificial neural networks

Author:

Antanasijević Jelena1234,Antanasijević Davor1534,Pocajt Viktor1234,Trišović Nemanja1234,Fodor-Csorba Katalin6789

Affiliation:

1. University of Belgrade

2. Faculty of Technology and Metallurgy

3. 11120 Belgrade

4. Serbia

5. Innovation Center of the Faculty of Technology and Metallurgy

6. Wigner Research Centre for Physics

7. Institute for Solid State Physics and Optics of the Hungarian Academy of Sciences

8. H-1525 Budapest

9. Hungary

Abstract

We present an approach for the prediction of liquid crystallinity of five-ring bent-core molecules. Reported classifiers can be also used for the estimation of influence of structural modifications on LC phase formation and its stability.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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