Predicting the Metabolic Sites by Flavin-Containing Monooxygenase on Drug Molecules Using SVM Classification on Computed Quantum Mechanics and Circular Fingerprints Molecular Descriptors

As an important enzyme in Phase I drug metabolism, the flavin-containing monooxygenase (FMO) also metabolizes some xenobiotics with soft nucleophiles. The site of metabolism (SOM) on a molecule is the site where the metabolic reaction is exerted by an enzyme. Accurate prediction of SOMs on drug mole...

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Detalles Bibliográficos
Autores principales: Fu, Chien-wei, Lin, Thy-Hou
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2017
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5224990/
https://www.ncbi.nlm.nih.gov/pubmed/28072829
http://dx.doi.org/10.1371/journal.pone.0169910

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5224990/
https://www.ncbi.nlm.nih.gov/pubmed/28072829
http://dx.doi.org/10.1371/journal.pone.0169910

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