Clustering of small molecules: new perspectives and their impact on natural product lead discovery

The clustering of small molecules is of considerable importance for computeraided drug discovery and virtual screening applications. The structure of chemical data in appropriate subspaces of the chemical space is relevant to sample datasets in a representative manner, to generate small libraries wi...

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Guardado en:
Detalles Bibliográficos
Autores principales: Talevi, Alan, Bellera, Carolina Leticia
Formato: Articulo
Lenguaje:Inglés
Publicado: 2024
Materias:
Biología
biosynthetic gene cluster (BGC)
secondary metabolites
clustering
small molecules
virtual screening
subspace clustering
multi-view clustering
chemogenomics
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/167340
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata

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