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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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National Academy of Sciences
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7414157/ https://www.ncbi.nlm.nih.gov/pubmed/32669436 http://dx.doi.org/10.1073/pnas.2000585117 |