Understanding and Classifying Metabolite Space and Metabolite-Likeness

While the entirety of ‘Chemical Space’ is huge (and assumed to contain between 1063 and 10200 ‘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 metabolite...

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Bibliographic Details
Main Authors: Peironcely, Julio E., Reijmers, Theo, Coulier, Leon, Bender, Andreas, Hankemeier, Thomas
Format: Online
Language:English
Published: Public Library of Science 2011
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3237584/