Using graph neural networks for site-of-metabolism prediction and its applications to ranking promiscuous enzymatic products

MOTIVATION: While traditionally utilized for identifying site-specific metabolic activity within a compound to alter its interaction with a metabolizing enzyme, predicting the site-of-metabolism (SOM) is essential in analyzing the promiscuity of enzymes on substrates. The successful prediction of SO...

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Detalles Bibliográficos
Autores principales: Porokhin, Vladimir, Liu, Li-Ping, Hassoun, Soha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9991054/
https://www.ncbi.nlm.nih.gov/pubmed/36790067
http://dx.doi.org/10.1093/bioinformatics/btad089

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9991054/
https://www.ncbi.nlm.nih.gov/pubmed/36790067
http://dx.doi.org/10.1093/bioinformatics/btad089

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