Bioactivity descriptors for uncharacterized chemical compounds

Chemical descriptors encode the physicochemical and structural properties of small molecules, and they are at the core of chemoinformatics. The broad release of bioactivity data has prompted enriched representations of compounds, reaching beyond chemical structures and capturing their known biologic...

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Detalles Bibliográficos
Autores principales: Bertoni, Martino, Duran-Frigola, Miquel, Badia-i-Mompel, Pau, Pauls, Eduardo, Orozco-Ruiz, Modesto, Guitart-Pla, Oriol, Alcalde, Víctor, Diaz, Víctor M., Berenguer-Llergo, Antoni, Brun-Heath, Isabelle, Villegas, Núria, de Herreros, Antonio García, Aloy, Patrick
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8225676/
https://www.ncbi.nlm.nih.gov/pubmed/34168145
http://dx.doi.org/10.1038/s41467-021-24150-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8225676/
https://www.ncbi.nlm.nih.gov/pubmed/34168145
http://dx.doi.org/10.1038/s41467-021-24150-4

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