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Expanding Bioactive Fragment Space with the Generated Database GDB-13s
[Image: see text] Identifying innovative fragments for drug design can help medicinal chemistry address new targets and overcome the limitations of the classical molecular series. By deconstructing molecules into ring fragments (RFs, consisting of ring atoms plus ring-adjacent atoms) and acyclic fra...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10598793/ https://www.ncbi.nlm.nih.gov/pubmed/37722101 http://dx.doi.org/10.1021/acs.jcim.3c01096 |