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drug-target affinity prediction

2 papers

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Co-occurring keywords · papers mentioning both

drug discovery (2) similarity aware evaluation (1) noise-robust learning (1) out-of-distribution learning (1) data split (1) graph neural network (1) molecular property prediction (1) noisy annotation (1) gradient descent (1) domain generalization (1)

Papers

Rethinking the generalization of drug target affinity prediction algorithms via similarity aware evaluation ICLR 2025 DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery – a Focus on Affinity Prediction Problems with Noise Annotations AAAI 2023