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Simplified activity cliff network representations with high interpretability and immediate access to SAR information
Activity cliffs (ACs) consist of structurally similar compounds with a large difference in potency against their target. Accordingly, ACs introduce discontinuity in structure-activity relationships (SARs) and are a prime source of SAR information. In compound data sets, the vast majority of ACs are...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7367913/ https://www.ncbi.nlm.nih.gov/pubmed/32500478 http://dx.doi.org/10.1007/s10822-020-00319-9 |