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GPURFSCREEN: a GPU based virtual screening tool using random forest classifier
BACKGROUND: In-silico methods are an integral part of modern drug discovery paradigm. Virtual screening, an in-silico method, is used to refine data models and reduce the chemical space on which wet lab experiments need to be performed. Virtual screening of a ligand data model requires large scale c...
| 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/PMC4772510/ https://www.ncbi.nlm.nih.gov/pubmed/26933453 http://dx.doi.org/10.1186/s13321-016-0124-8 |