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drug-likeness

2 papers

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Co-occurring keywords · papers mentioning both

biomedical knowledge alignment (1) large-scale in silico screening (1) one-class boundary optimization (1) bayesian flow network (1) multi-reward optimization (1) reward normalization (1) binding affinity (1) de novo design (1) expectation maximization (1) direct preference optimization (1)

Papers

BounDr.E: Predicting Drug-likeness via Biomedical Knowledge Alignment and EM-like One-Class Boundary Optimization ICML 2025 Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization ICML 2025