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Updated: Feb 4, 2026

Transmembrane Domain Oligomerization Propensity determined by ToxR Assay
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显式适用性域计算可以帮助确定不确定性估计何时不太可靠

Zied Hosni1, Valerie J Gillet1, Richard L Marchese Robinson2

  • 1Information School, University of Sheffield, The Wave, 2 Whitham Road, Sheffield S10 2AH, U.K.

ACS omega
|February 2, 2026
PubMed
概括

定量结构-活性关系 (QSAR) 模型的不确定性估计是更可靠的,当化合物在模型的适用性领域. 使用k-最近邻近方法 (nUNC) 的结构相似性计算有助于确定这些不确定性估计何时对外部数据不那么可靠.

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