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About this paper
Daniel Bensimon, Zhiquan Liu, Sean X. Yu, Eric D. Kolaczyk, Archer Y. Yang
The framework uses isotonic calibration level sets for prediction intervals and compound selection. It fits a monotone, piecewise-constant score map once, then performs inference within its strata. Across 15 ADMET assays, ICS averaged power 0.898 versus 0.761 for standard conformal selection at nominal FDR 0.3, with pooled empirical FDR below target; its guarantee is stratum-wise, not pooled.
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