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Graph Neural Networks as a Potential Tool in Improving Virtual Screening Programs

Despite the increasing number of pharmaceutical companies, university laboratories and funding, less than one percent of initially researched drugs enter the commercial market. In this context, virtual screening (VS) has gained much attention due to several advantages, including timesaving, reduced...

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Detalles Bibliográficos
Autores principales:	Alves, Luiz Anastacio, Ferreira, Natiele Carla da Silva, Maricato, Victor, Alberto, Anael Viana Pinto, Dias, Evellyn Araujo, Jose Aguiar Coelho, Nt
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8811035/ https://www.ncbi.nlm.nih.gov/pubmed/35127645 http://dx.doi.org/10.3389/fchem.2021.787194

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