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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644420/ https://www.ncbi.nlm.nih.gov/pubmed/31458921 http://dx.doi.org/10.1021/acsomega.8b01188 |