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Gozde Yalcin Ozkat

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Open access Sep 2026

Confidence-Gated Triage: Coupling Drug–Target Affinity and ADME-T Predictions to Prioritise Compounds for Docking

A transparent pre-screen can prioritise compounds ahead of structure-based calculation at a fraction of its cost, and the uncertainty and applicability-domain terms act as an abstention mechanism rather than an accuracy gain, and that abstention is not free.

Gozde Yalcin Ozkat · 0 citations

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