AINeutralarXiv – CS AI · 9h ago5/10
🧠
Agentic Molecular Recovery via Molecule-Aware Exploration
Researchers propose AMREC, a new agentic framework that improves text-guided molecular generation by shifting focus from merely fixing invalid chemical structures to preserving target-relevant molecular identity. The approach outperforms existing correction strategies by combining molecule-aware tracking with expanded candidate exploration, achieving superior recovery across multiple evaluation metrics on invalid molecular drafts.