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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Detalles Bibliográficos
Autores principales: Kim, Sunghwan, Han, Lianyi, Yu, Bo, Hähnke, Volker D, Bolton, Evan E, Bryant, Stephen H
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4492103/
https://www.ncbi.nlm.nih.gov/pubmed/26150895
http://dx.doi.org/10.1186/s13321-015-0070-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4492103/
https://www.ncbi.nlm.nih.gov/pubmed/26150895
http://dx.doi.org/10.1186/s13321-015-0070-x

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