Article

Pan–Pharmacological Drug–Target Interaction Prediction with 3D–Informed Protein Encoding at Scale

2026-03-30

Abstract excerpt

Accurate prediction of drug–target binding affinity across multiple pharmacological endpoints remains challenging, as most deep learning methodologies focus on a single metric and face a trade–off between incorporating structural information and computational throughput. Here we present OmniBind, a multitask framework that resolves both constraints by encoding protein tertiary structures as discrete token sequence...

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Literature Corpus work: 43c5622b-0fd2-59b7-b25f-df0da8f35325
DOI: 10.64898/2026.03.27.714727

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