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Where Black-box Drug-Target Interaction Prediction Models Look: Cross-Method Explainability

arXiv cs.LG · 2d ago Cached

A study presenting a cross-method explainability audit of the BridgeDPI drug-target interaction model, combining gradient-based attributions and occlusion to reveal modality dominance and artifacts, providing testable hypotheses for drug discovery.

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#drug-target-interaction

I-SAFE: Wasserstein Coherence Metrics for Structural Auditing of Scientific AI Models

arXiv cs.LG · 2026-05-22 Cached

This paper introduces I-SAFE, a post-hoc distributional auditing framework for scientific AI models using Wasserstein Coherence Metrics, which reveals structural differences in model outputs that accuracy-based evaluation fails to capture. Demonstrated on drug-target interaction prediction, the framework is model-agnostic and applicable to any domain with structured inputs and external priors.

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