Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers

BACKGROUND: The prediction of sites and products of metabolism in xenobiotic compounds is key to the development of new chemical entities, where screening potential metabolites for toxicity or unwanted side-effects is of crucial importance. In this work 2D topological fingerprints are used to encode...

Descripción completa

Detalles Bibliográficos
Autores principales: Tyzack, Jonathan D, Mussa, Hamse Y, Williamson, Mark J, Kirchmair, Johannes, Glen, Robert C
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2014
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4047555/
https://www.ncbi.nlm.nih.gov/pubmed/24959208
http://dx.doi.org/10.1186/1758-2946-6-29

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4047555/
https://www.ncbi.nlm.nih.gov/pubmed/24959208
http://dx.doi.org/10.1186/1758-2946-6-29

Ejemplares similares