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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...

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Detalles Bibliográficos
Autores principales: Ferrández, Miriam R., Puertas-Martín, Savíns, Redondo, Juana L., Pérez-Sánchez, Horacio, Ortigosa, Pilar M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
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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