| Autor: |
Mehdi Nekoe, Majid Mohammadhosseini, اسلام Pourbasheer, مهدی Maham |
| Jazyk: |
English<br />Persian |
| Rok vydání: |
2011 |
| Předmět: |
|
| Zdroj: |
شیمی کاربردی روز, Vol 6, Iss 21, Pp 35-44 (2011) |
| Druh dokumentu: |
article |
| ISSN: |
2981-2437 |
| DOI: |
10.22075/chem.2017.592 |
| Popis: |
Quantitative structure-activity relationship (QSAR) study for prediction of medicinal activity of pyrazole derivatives is developed using structural descriptors and multiple linear regression (MLR) method. Molecular descriptors are selected by genetic algorithm. Then a simple, strong, descriptive and interpretable model with low error and high correlation coefficient is construct. The results illustrated that the linear techniques such as MLR combined with a successful variable selection procedure are capable to generate an efficient QSAR model for predicting the activity of different compounds. This model was used for the prediction of activity values of some medicinal compounds which were not used in the modeling procedure. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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