Prediction of the Formation of Reactive Metabolites by A Novel Classifier Approach Based on Enrichment Factor Optimization (EFO) as Implemented in the VEGA Program

The study is aimed at developing linear classifiers to predict the capacity of a given substrate to yield reactive metabolites. While most of the hitherto reported predictive models are based on the occurrence of known structural alerts (e.g., the presence of toxophoric groups), the present study is...

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Detalles Bibliográficos
Autores principales: Mazzolari, Angelica, Vistoli, Giulio, Testa, Bernard, Pedretti, Alessandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278469/
https://www.ncbi.nlm.nih.gov/pubmed/30428514
http://dx.doi.org/10.3390/molecules23112955

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278469/
https://www.ncbi.nlm.nih.gov/pubmed/30428514
http://dx.doi.org/10.3390/molecules23112955

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