Tag: molecular optimization
Browse our exclusive articles!
Scaffold-Conditioned Triplets for Molecular Optimization
Discover Scaffold-Conditioned Preference Triplets (SCPT) using large language models for precise, scaffold-preserving molecular optimization in drug discov...
MolMem: Efficient Molecular Optimization with Memory RL
Discover MolMem, a memory-augmented reinforcement learning framework that boosts sample efficiency in molecular optimization for drug discovery.
MolEvolve: AI-Driven Molecular Optimization with LLMs
Discover MolEvolve, an AI framework using LLMs and MCTS for interpretable and efficient molecular optimization in chemical research.