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https://open.uns.ac.rs/handle/123456789/5434
Nаziv: | QSRR analysis in characterization of some benzimidazole derivatives | Аutоri: | Karadžić Banjac, Milica Podunavac-Kuzmanović, Sanja Jevrić, Lidija Kovačević, Strahinja |
Dаtum izdаvаnjа: | 2015 | Izdаvаč: | Ljubljana: Slovenian Chemical Society | Čаsоpis: | Acta Chimica Slovenica | Sažetak: | 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 |
Nаlаzi sе u kоlеkciјаmа: | TF Publikacije/Publications |
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