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Uncovering activity cliff generators using distribution of SALI values
Activity cliffs are defined as compounds with high structure similarity but large potency difference. Identification ofactivity cliffs have a significant impact in lead optimization in medicinal chemistry, and computational applicationssuch as the development of predictive models and the selection o...
Guardat en:
| Publicat a: | Tip Revista Especializada en Ciencias Químico-Biológicas |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Universidad Nacional Autónoma de México
2018
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| Matèries: | |
| Accés en línia: | https://www.redalyc.org/articulo.oa?id=43253401002 |
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