Guiding large language models to predict edit sequences for molecular synthesizability optimization
Nature Machine Intelligence, Published online: 23 September 2026; doi:10.1038/s42256-026-01304-x Computational drug design often generates molecules that cannot be synthesized. Li and Lai show how large language models can predict precise structural edits to fix these molecules, outperforming tradi…
Read the full story at Nature Machine Intelligence ↗
Timeline · 1 report
- 2026-09-23 00:00 · Nature Machine Intelligence
Guiding large language models to predict edit sequences for molecular synthesizability optimization