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Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds

The “small molecule universe” (SMU), the set of all synthetically feasible organic molecules of 500 Daltons molecular weight or less, is estimated to contain over 10(60) structures, making exhaustive searches for structures of interest impractical. Here, we describe the construction of a “representa...

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Detalhes bibliográficos
Main Authors: Virshup, Aaron M., Contreras-García, Julia, Wipf, Peter, Yang, Weitao, Beratan, David N.
Formato: Artigo
Idioma:Inglês
Publicado em: 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3670418/
https://ncbi.nlm.nih.gov/pubmed/23548177
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja401184g
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