A graph-based approach to construct target-focused libraries for virtual screening

BACKGROUND: Due to exorbitant costs of high-throughput screening, many drug discovery projects commonly employ inexpensive virtual screening to support experimental efforts. However, the vast majority of compounds in widely used screening libraries, such as the ZINC database, will have a very low pr...

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Detalles Bibliográficos
Autores principales: Naderi, Misagh, Alvin, Chris, Ding, Yun, Mukhopadhyay, Supratik, Brylinski, Michal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4791927/
https://www.ncbi.nlm.nih.gov/pubmed/26981157
http://dx.doi.org/10.1186/s13321-016-0126-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4791927/
https://www.ncbi.nlm.nih.gov/pubmed/26981157
http://dx.doi.org/10.1186/s13321-016-0126-6

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