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Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity
Chemical reactivity descriptors of indol-4-ones obtained via density functional theory (DFT) and hard–soft acid–base (HSAB) principle were calculated to prove their contribution in antifungal activity. Simple linear regression was made for global and local reactivity indexes. Results with global des...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155404/ https://www.ncbi.nlm.nih.gov/pubmed/28282898 http://dx.doi.org/10.3390/molecules22030427 |