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...

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Detalles Bibliográficos
Autores principales: Putz, Mihai V., Dudaş, Nicoleta A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2013
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270382/
https://www.ncbi.nlm.nih.gov/pubmed/23903183
http://dx.doi.org/10.3390/molecules18089061

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