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Determining Chemical Reactivity Driving Biological Activity from SMILES Transformations: The Bonding Mechanism of Anti-HIV Pyrimidines
Assessing the molecular mechanism of a chemical-biological interaction and bonding stands as the ultimate goal of any modern quantitative structure-activity relationship (QSAR) study. To this end the present work employs the main chemical reactivity structural descriptors (electronegativity, chemica...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270382/ https://www.ncbi.nlm.nih.gov/pubmed/23903183 http://dx.doi.org/10.3390/molecules18089061 |