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Understanding and Classifying Metabolite Space and Metabolite-Likeness

While the entirety of ‘Chemical Space’ is huge (and assumed to contain between 10(63) and 10(200) ‘small molecules’), distinct subsets of this space can nonetheless be defined according to certain structural parameters. An example of such a subspace is the chemical space spanned by endogenous metabo...

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Detalles Bibliográficos
Autores principales: Peironcely, Julio E., Reijmers, Theo, Coulier, Leon, Bender, Andreas, Hankemeier, Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3237584/
https://www.ncbi.nlm.nih.gov/pubmed/22194963
http://dx.doi.org/10.1371/journal.pone.0028966