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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...
Enregistré dans:
| Publié dans: | J Cheminform |
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| Auteurs principaux: | , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Springer International Publishing
2015
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4352573/ https://ncbi.nlm.nih.gov/pubmed/25750664 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-014-0051-5 |
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