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PubChem structure–activity relationship (SAR) clusters

BACKGROUND: Developing structure–activity relationships (SARs) of molecules is an important approach in facilitating hit exploration in the early stage of drug discovery. Although information on millions of compounds and their bioactivities is freely available to the public, it is very challenging t...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Kim, Sunghwan, Han, Lianyi, Yu, Bo, Hähnke, Volker D, Bolton, Evan E, Bryant, Stephen H
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4492103/
https://ncbi.nlm.nih.gov/pubmed/26150895
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0070-x
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