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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2015
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| 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 |