QSAR Model for Prediction of some Non-Nucleoside Inhibitors of Dengue Virus Serotype 4 NS5 using GFA-MLR Approach
B3LYP/631G** basis set of DFT quantum mechanical method was used to optimize the molecular geometry of some non-nucleoside inhibitors of dengue 4 virus. Molecular descriptors were mined from the optimized structure and used along with their experimental inhibitory activity (pIC50) as the database fo...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2020-07-01
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| Series: | Journal of Chemistry Letters |
| Subjects: | |
| Online Access: | https://www.jchemlett.com/article_114258_e9cfd6d139c88a643fd8c93b2a86340e.pdf |
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