Author

Minjae Chung

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#machine learning Preprint Oct 2026

Beyond Random Splits: Evaluating Drug-Target Affinity Models Under Chemically and Biologically Motivated Distribution Shifts Copy

Drug-target affinity (DTA) prediction is widely used to prioritize candidate compounds before costly experimental screening. DTA models are often compared under a single data split, even though deployment may require extrapolation to new chemical series, new protein targets, or both. We ask whether the distribution shi...

Minjae Chung, Clara Li, M. Muthukumaran et al. · 0 citations

Open access Jul 2026

AlphaDTA: integrating AlphaFold3 embeddings and 3D complex structures for drug-target binding affinity prediction.

By integrating AlphaFold3-derived single, pair, and structure-based embeddings through adaptive fusion, AlphaDTA improves generalization on structurally nonredundant benchmarks and demonstrates utility for target-specific drug repurposing.

Minjae Chung, Sejin Park, Hyunju Lee · Journal of Cheminformatics · 0 citations