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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2016
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| Materias: | |
| 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 |