 Advancing Bayesian Optimization via Learning Correlated Latent SpaceNeural Information Processing Systems (NeurIPS), 2023 |
 ChemSpaceAL: An Efficient Active Learning Methodology Applied to
Protein-Specific Molecular GenerationJournal of Chemical Information and Modeling (JCIM), 2023 |
 Computer-Aided Multi-Objective Optimization in Small Molecule DiscoveryPatterns (Patterns), 2022 |
