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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...
Autores principales: | Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7367915/ https://www.ncbi.nlm.nih.gov/pubmed/32367387 http://dx.doi.org/10.1007/s10822-020-00315-z |
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