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

Seungbeom Lee, Munsun Jo, Jungseul Ok, Dongwoo Kim 0002. Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization. In Forty-second International Conference on Machine Learning, ICML 2025, Vancouver, BC, Canada, July 13-19, 2025. OpenReview.net, 2025. [doi]

Abstract

Abstract is missing.