In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

UDP-glucuronosyltransferases (UGTs) have gained increasing attention as they play important roles in the phase II metabolism of drugs. Due to the time-consuming process and high cost of experimental approaches to identify the metabolic fate of UGT enzymes, in silico methods have been developed to pr...

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Detalles Bibliográficos
Autores principales: Huang, Mengting, Lou, Chaofeng, Wu, Zengrui, Li, Weihua, Lee, Philip W., Tang, Yun, Liu, Guixia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9270812/
https://www.ncbi.nlm.nih.gov/pubmed/35804446
http://dx.doi.org/10.1186/s13321-022-00626-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9270812/
https://www.ncbi.nlm.nih.gov/pubmed/35804446
http://dx.doi.org/10.1186/s13321-022-00626-3

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