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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...
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| Vydáno v: | J Cheminform |
|---|---|
| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Springer International Publishing
2015
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| Témata: | |
| On-line přístup: | 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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