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A two-layer mono-objective algorithm based on guided optimization to reduce the computational cost in virtual screening
Virtual screening methods focus on searching molecules with similar properties to a given compound. Molecule databases are made up of large numbers of compounds and are constantly increasing. Therefore, fast and efficient methodologies and tools have to be designed to explore them quickly. In this c...
Autores principales: | Ferrández, Miriam R., Puertas-Martín, Savíns, Redondo, Juana L., Pérez-Sánchez, Horacio, Ortigosa, Pilar M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9326156/ https://www.ncbi.nlm.nih.gov/pubmed/35896716 http://dx.doi.org/10.1038/s41598-022-16913-w |
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