Template-based combinatorial enumeration of virtual compound libraries for lipids
<p>Abstract</p> <p>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...
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| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BMC
2012-09-01
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| coleção: | Journal of Cheminformatics |
| Acesso em linha: | http://www.jcheminf.com/content/4/1/23 |
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