Please use this identifier to cite or link to this item:
https://open.uns.ac.rs/handle/123456789/16255
Title: | Qsar modeling of antibacterial activity of some benzimidazole derivatives | Authors: | Podunavac-Kuzmanović, Sanja Cvetković, Dragoljub |
Issue Date: | 6-Apr-2011 | Publisher: | Belgrade: Association of the Chemical Engineers of Serbia | Journal: | Chemical Industry and Chemical Engineering Quarterly | Abstract: | A quantitative structure-activity relationship (QSAR) study has been carried out for a training set of 12 benzimidazole derivatives to correlate and predict the antibacterial activity of studied compounds against Gram-negative bacteria Pseudomonas aeruginosa. Multiple linear regression was used to select the descriptors and to generate the best prediction model that relates the structural features to inhibitory activity. The predictivity of the model was estimated by cross-validation with the leave-one-out method. Our results suggest a QSAR model based on the following descriptors: Parameter of lipophilicity (logP) and hydration energy (HE). Good agreement between experimental and predicted inhibitory values, obtained in the validation procedure, indicated the good quality of the generated QSAR model. | URI: | https://open.uns.ac.rs/handle/123456789/16255 | ISSN: | 14519372 | DOI: | 10.2298/CICEQ100405050P |
Appears in Collections: | TF Publikacije/Publications |
Show full item record
SCOPUSTM
Citations
15
checked on Mar 15, 2024
Page view(s)
28
Last Week
0
0
Last month
0
0
checked on Mar 15, 2024
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.