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Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse

BACKGROUND: Predicting metabolic sites is important in the drug discovery process to aid in rapid compound optimisation. No interactive tool exists and most of the useful tools are quite expensive. RESULTS: Here a fast and reliable method to analyse ligands and visualise potential metabolic sites is...

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Detalles Bibliográficos
Autores principales: Carlsson, Lars, Spjuth, Ola, Adams, Samuel, Glen, Robert C, Boyer, Scott
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2912884/
https://www.ncbi.nlm.nih.gov/pubmed/20594327
http://dx.doi.org/10.1186/1471-2105-11-362