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2025 ICML ICML 2025

Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization

Abstract

No abstract available. No abstract was captured for this paper when its proceedings were scraped - most often an older edition published without one online. How the corpus is built.

Authors

Seungbeom Lee, Munsun Jo, Jungseul Ok, Dongwoo Kim

Topics

Machine Learning > Optimization & Theory > Bayesian Inference Machine Learning > Optimization & Theory > Optimization Deep Learning > Models > Generative Models

Keywords

direct preference optimization binding affinity reward normalization multi-reward optimization bayesian flow network drug-likeness
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