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https://open.uns.ac.rs/handle/123456789/5434
Назив: | QSRR analysis in characterization of some benzimidazole derivatives | Аутори: | Karadžić Banjac, Milica Podunavac-Kuzmanović, Sanja Jevrić, Lidija Kovačević, Strahinja |
Датум издавања: | 2015 | Издавач: | Ljubljana: Slovenian Chemical Society | Часопис: | Acta Chimica Slovenica | Сажетак: | 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 |
Налази се у колекцијама: | TF Publikacije/Publications |
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