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Development and evaluation of a deep learning model for protein–ligand binding affinity prediction

MOTIVATION: Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has recently gained considerable attention as it allo...

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Detalles Bibliográficos
Autores principales:	Stepniewska-Dziubinska, Marta M, Zielenkiewicz, Piotr, Siedlecki, Pawel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2018
Materias:	Original Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6198856/ https://www.ncbi.nlm.nih.gov/pubmed/29757353 http://dx.doi.org/10.1093/bioinformatics/bty374

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