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Optimal decision-making in high-throughput virtual screening pipelines
The need for efficient computational screening of molecular candidates that possess desired properties frequently arises in various scientific and engineering problems, including drug discovery and materials design. However, the enormous search space containing the candidates and the substantial com...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10682755/ https://www.ncbi.nlm.nih.gov/pubmed/38035191 http://dx.doi.org/10.1016/j.patter.2023.100875 |