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Limitations of representation learning in small molecule property prediction

Representation learning is making inroads into drug discovery. A study in Nature Communications emphasizes multiple limitations in property prediction. The results suggest that continued research and improvements are required for this specific area that coalesces machine learning and molecular medic...

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Detalles Bibliográficos
Autores principales:	Dias, Ana Laura, Bustillo, Latimah, Rodrigues, Tiago
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Comment
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10575963/ https://www.ncbi.nlm.nih.gov/pubmed/37833279 http://dx.doi.org/10.1038/s41467-023-41967-3

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