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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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Pubblicato in:RSC Med Chem
Autori principali: Hu, Huabin, Bajorath, Jürgen
Natura: Artigo
Lingua:Inglês
Pubblicazione: Royal Society of Chemistry 2020
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Accesso online: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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