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Introducing a new category of activity cliffs combining different compound similarity criteria

Activity cliffs (ACs) are pairs of structurally similar or analogous active compounds with large differences in potency against the same target. For identifying and analyzing ACs, similarity and potency difference criteria must be determined and consistently applied. This can be done in various ways...

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Detalhes bibliográficos
Publicado no:RSC Med Chem
Main Authors: Hu, Huabin, Bajorath, Jürgen
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7484988/
https://ncbi.nlm.nih.gov/pubmed/33479613
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9md00463g
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