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Improved method of structure-based virtual screening based on ensemble learning
Virtual screening has become a successful alternative and complementary technique to experimental high-throughput screening technologies for drug design. Since the scoring function of docking software cannot predict binding affinity accurately, how to improve the hit rate remains a common issue in s...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049841/ https://www.ncbi.nlm.nih.gov/pubmed/35492172 http://dx.doi.org/10.1039/c9ra09211k |