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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Oxford University Press
2023
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| Materias: | |
| 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 |