Quantum chemical descriptors in the QSAR studies of compounds active in maxima electroshock seizure test
DFT quantum mechanical method B3LYP/631G∗∗ was used to optimize the molecular geometry of some 2-amino-N-benzylacetamide derivatives with anticonvulsant activities. Molecular descriptors were extracted from the optimized structure and used together with their activity as the database for the study....
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-01-01
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| Series: | Journal of King Saud University: Science |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1018364718302842 |