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An automated framework for QSAR model building

BACKGROUND: In-silico quantitative structure–activity relationship (QSAR) models based tools are widely used to screen huge databases of compounds in order to determine the biological properties of chemical molecules based on their chemical structure. With the passage of time, the exponentially grow...

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Detalles Bibliográficos
Autores principales: Kausar, Samina, Falcao, Andre O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5770354/
https://www.ncbi.nlm.nih.gov/pubmed/29340790
http://dx.doi.org/10.1186/s13321-017-0256-5