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Structure-Based Predictions of Activity Cliffs
In drug discovery, it is generally accepted that neighboring molecules in a given descriptors' space display similar activities. However, even in regions that provide strong predictability, structurally similar molecules can occasionally display large differences in potency. In QSAR jargon, the...
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| Publicado no: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4553268/ https://ncbi.nlm.nih.gov/pubmed/25918827 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500742b |
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