Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7698750 | Journal of Taibah University for Science | 2016 | 13 Pages |
Abstract
The models were used to predict the association constant of the DNA drug binding of the test set compounds, and the agreement between the experimental and predicted values was verified. The descriptors determined by QSPR studies were used for the study and design of new compounds. The statistical results indicate that the predicted values were in good agreement with the experimental results (r = 0.935 and r = 0.936 for MLR and MNLR, respectively). To validate the predictive power of the resulting models, the external validation multiple correlation coefficients were 0.932 and 0.939 for the MLR and the MNLR, respectively. These results show that both models possess a favourable estimation stability and good prediction power.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Chemistry (General)
Authors
Samir Chtita, Rachid Hmamouchi, Majdouline Larif, Mounir Ghamali, Mohammed Bouachrine, Tahar Lakhlifi,