ProbeMatchDTI: Probe-Driven Multi-Scale Biochemical Pattern Matching for Drug-Target Interaction Prediction
Drug-target interaction (DTI) prediction is an important task in AI-driven drug discovery. Although recent biochemical representation learning methods have improved DTI prediction, their passive feature aggregation tends to favor dominant molecular patterns while suppressing weak yet binding-relevant signals, such as functional groups and residue-context patterns, limiting the modeling of…
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