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Paper · arXiv

Hit Selection Using SSMD-Based Machine Learning Performance Metrics in High-Throughput Screening Assays

High-throughput screening (HTS) assays are central to early-stage drug discovery but are often limited by extreme data sparsity, as primary screens typically use only a single replicate per test substance. This sparsity makes conventional machine-learning performance metrics, such as sensitivity, specificity, and area under the receiver operating characteristic curve (AUROC), difficult to estimate empirically because they require adequately sized labeled samples. Here, we introduce a model-based framework that derives these classification metrics from the strictly standardized mean difference (SSMD), a well-established HTS effect-size parameter. Under a Gaussian equal-variance assumption,...

AuthorsXiaohua Douglas Zhang
Primary categorystat.AP
Published6 August 2026
Last updated at source6 August 2026
stat.APcs.AIq-bio.QMstat.ML
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