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A general model to predict small molecule substrates of enzymes based on machine and deep learning

For most proteins annotated as enzymes, it is unknown which primary and/or secondary reactions they catalyze. Experimental characterizations of potential substrates are time-consuming and costly. Machine learning predictions could provide an efficient alternative, but are hampered by a lack of infor...

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Detalles Bibliográficos
Autores principales: Kroll, Alexander, Ranjan, Sahasra, Engqvist, Martin K. M., Lercher, Martin J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10185530/
https://www.ncbi.nlm.nih.gov/pubmed/37188731
http://dx.doi.org/10.1038/s41467-023-38347-2