A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space

BACKGROUND: The current chemical space of known small molecules is estimated to exceed 10(60 )structures. Though the largest physical compound repositories contain only a few tens of millions of unique compounds, virtual screening of databases of this size is still difficult. In recent years, the ap...

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Detalles Bibliográficos
Autores principales: Singh, Narender, Sun, Hongmao, Chaudhury, Sidhartha, AbdulHameed, Mohamed Diwan M, Wallqvist, Anders, Tawa, Gregory
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3299594/
https://www.ncbi.nlm.nih.gov/pubmed/22316383
http://dx.doi.org/10.1186/1758-2946-4-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3299594/
https://www.ncbi.nlm.nih.gov/pubmed/22316383
http://dx.doi.org/10.1186/1758-2946-4-4

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