ISSN

0974-4150 (Online)
0974-4169 (Print)


Author(s): Nadia Ziani, Khadidja Amirat, Souhaila Meneceur, Abderrhmane Bouafia

Email(s): abdelrahmanebouafia@gmail.com

DOI: 10.52711/0974-4150.2023.00057   

Address: Nadia Ziani1,4, Khadidja Amirat2,4, Souhaila Meneceur3,4, Abderrhmane Bouafia3*
1Faculty of Science, Chemistry Department Badji Mokhtar University Annaba, Annaba, Algeria.
2Faculty of Science, Department of Chemistry University of Sétif 1 - Ferhat Abbas, El Bez, Setif 19000.
3Department of Process Engineering and Petrochemistry, Faculty of Technology, University of El Oued, 39000 El-Oued, Algeria.
4Renewable Energy Development Unit in Arid Zones (UDERZA), University of El Oued El-Oued, Algeria.
*Corresponding Author

Published In:   Volume - 16,      Issue - 5,     Year - 2023


ABSTRACT:
A structure/retention indices relationship was searched for 59 PAHs while promoting the simple linear regression by genetic algorithm MOBIDYGS software, the structural parameters being calculated with the software Spartan and DRAGON. Among about a hundred of one-regression models gotten, we selected the one that present best values of the prediction parameter (Q2) and of the determination coefficient (R2). The robustness of obtaining model were illustrated using different techniques: leave-many-out, external-validation, randomization test, applicability domain.


Cite this article:
Nadia Ziani, Khadidja Amirat, Souhaila Meneceur, Abderrhmane Bouafia. Development of QSRR model of a set of Polycyclic Aromatic Hydrocarbons (PAHs) using simple regression analysis in silico. Asian Journal of Research in Chemistry. 2023; 16(5):358-2. doi: 10.52711/0974-4150.2023.00057

Cite(Electronic):
Nadia Ziani, Khadidja Amirat, Souhaila Meneceur, Abderrhmane Bouafia. Development of QSRR model of a set of Polycyclic Aromatic Hydrocarbons (PAHs) using simple regression analysis in silico. Asian Journal of Research in Chemistry. 2023; 16(5):358-2. doi: 10.52711/0974-4150.2023.00057   Available on: https://www.ajrconline.org/AbstractView.aspx?PID=2023-16-5-7


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