Bioactivity descriptors for uncharacterized chemical compounds

Small molecules bioactivity descriptors are enriched representations of compounds, reaching beyond chemical structures and capturing their known biological properties. Here the authors present a collection of deep neural networks able to infer bioactivity signatures for any compound of interest, eve...

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Autores principales: Martino Bertoni, Miquel Duran-Frigola, Pau Badia-i-Mompel, Eduardo Pauls, Modesto Orozco-Ruiz, Oriol Guitart-Pla, Víctor Alcalde, Víctor M. Diaz, Antoni Berenguer-Llergo, Isabelle Brun-Heath, Núria Villegas, Antonio García de Herreros, Patrick Aloy
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/ea240240f3214f9098521acfd799be30
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