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Machine learning classification can reduce false positives in structure-based virtual screening
With the recent explosion in the size of libraries available for screening, virtual screening is positioned to assume a more prominent role in early drug discovery’s search for active chemical matter. In typical virtual screens, however, only about 12% of the top-scoring compounds actually show acti...
Gardado en:
| Publicado en: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
National Academy of Sciences
2020
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7414157/ https://ncbi.nlm.nih.gov/pubmed/32669436 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.2000585117 |
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