Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints

BACKGROUND: Tools to explore large compound databases in search for analogs of query molecules provide a strategically important support in drug discovery to help identify available analogs of any given reference or hit compound by ligand based virtual screening (LBVS). We recently showed that large...

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Detalles Bibliográficos
Autores principales: Awale, Mahendra, Jin, Xian, Reymond, Jean-Louis
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/PMC4352573/
https://www.ncbi.nlm.nih.gov/pubmed/25750664
http://dx.doi.org/10.1186/s13321-014-0051-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4352573/
https://www.ncbi.nlm.nih.gov/pubmed/25750664
http://dx.doi.org/10.1186/s13321-014-0051-5

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