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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2022
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| Materias: | |
| 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 |