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Template-based combinatorial enumeration of virtual compound libraries for lipids
A variety of software packages are available for the combinatorial enumeration of virtual libraries for small molecules, starting from specifications of core scaffolds with attachments points and lists of R-groups as SMILES or SD files. Although SD files include atomic coordinates for core scaffolds...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
BioMed Central
2012
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3545849/ https://ncbi.nlm.nih.gov/pubmed/23006594 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-4-23 |
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