Optimization of the anticonvulsant activity of 2-acetamido-N-benzyl-2-(5-methylfuran-2-yl) acetamide using QSAR modeling and molecular docking techniques
Chemometric descriptors were used to analyze quantitatively the anticonvulsant activity of ninety propanamide derivatives. Molecular geometries of the data set were optimized with B3LYP/6-31G∗∗ quantum mechanical method and chemometric descriptors were calculated from the optimized structure. Linear...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
SpringerOpen
2018-12-01
|
| Series: | Beni-Suef University Journal of Basic and Applied Sciences |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2314853517305231 |