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Rationalizing the Formation of Activity Cliffs in Different Compound Data Sets

[Image: see text] Activity cliffs are formed by structurally analogous compounds with large potency variations and are highly relevant for the exploration of discontinuous structure–activity relationships and compound optimization. So far, activity cliffs have mostly been studied on a case-by-case b...

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Pubblicato in:ACS Omega
Autori principali: Hu, Huabin, Stumpfe, Dagmar, Bajorath, Jürgen
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2018
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6644420/
https://ncbi.nlm.nih.gov/pubmed/31458921
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b01188
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