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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...
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| Udgivet i: | J Comput Aided Mol Des |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer International Publishing
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7367913/ https://ncbi.nlm.nih.gov/pubmed/32500478 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-020-00319-9 |
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