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Break Down in Order To Build Up: Decomposing Small Molecules for Fragment-Based Drug Design with eMolFrag
[Image: see text] Constructing high-quality libraries of molecular building blocks is essential for successful fragment-based drug discovery. In this communication, we describe eMolFrag, a new open-source software to decompose organic compounds into nonredundant fragments retaining molecular connect...
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| Publicado no: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2017
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5433162/ https://ncbi.nlm.nih.gov/pubmed/28346786 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00596 |
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