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Exploring Uncharted Territories - Predicting Activity Cliffs in Structure-Activity Landscapes
The notion of activity cliffs is an intuitive approach to characterizing structural features that play a key role in modulating biological activity of a molecule. A variety of methods have been described to quantitatively characterize activity cliffs, such as SALI and SARI. However, these methods ar...
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3448951/ https://ncbi.nlm.nih.gov/pubmed/22873578 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci300047k |
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