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https://open.uns.ac.rs/handle/123456789/5434
Title: | QSRR analysis in characterization of some benzimidazole derivatives | Authors: | Karadžić Banjac, Milica Podunavac-Kuzmanović, Sanja Jevrić, Lidija Kovačević, Strahinja |
Issue Date: | 2015 | Publisher: | Ljubljana: Slovenian Chemical Society | Journal: | Acta Chimica Slovenica | Abstract: | In this paper, quantitative structure-retention relationship study has been applied in order to correlate obtained retention parameter RM0and two groups of molecular descriptors, for eleven investigated benzimidazole derivatives. Principal component analysis (PCA), followed by hierarchical cluster analysis (HCA), linear regression (LR) and multiple linear regression (MLR), was applied in order to identify the most important molecular descriptors. Mathematical models were established and the best models were further validated by leave-on-out (LOO) technique as well as by the calculation of the statistical parameters. Statistically significant models were established. | URI: | https://open.uns.ac.rs/handle/123456789/5434 | ISSN: | 13180207 | DOI: | 10.17344/acsi.2014.1134 |
Appears in Collections: | TF Publikacije/Publications |
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