Inter-laboratory measurement variance dominates the generalization gap in PROTAC activity prediction, capping LOTO AUROC near 0.67 across models and architectures.
Stefano Ribes, Eva Nittinger, Christian Tyrchan, and Rocío Mercado
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Decomposing the Generalization Gap in PROTAC Activity Prediction: Variance Attribution and the Inter-Laboratory Ceiling
Inter-laboratory measurement variance dominates the generalization gap in PROTAC activity prediction, capping LOTO AUROC near 0.67 across models and architectures.