Quantum Chemical Calculations (QSAR) of antipyrine drug and its Metabolites
The electronic properties of antipyrine and its metabolites have been investigated theoretically by the different methods of semi-empirical (AM1, MNDO/3 and PM3) and ab initio at STO-3G level calculations. These metabolites are of much interest due to their biological and medical importance. The cha...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Published: |
2012
|
| Subjects: |