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Advances in exploring activity cliffs

The activity cliff (AC) concept is of comparable relevance for medicinal chemistry and chemoinformatics. An AC is defined as a pair of structurally similar compounds with a large potency difference against a given target. In medicinal chemistry, ACs are of interest because they reveal small chemical...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Comput Aided Mol Des
Prif Awduron: Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Springer International Publishing 2020
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC7367915/
https://ncbi.nlm.nih.gov/pubmed/32367387
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-020-00315-z
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