2 papers
cs.LG2026
Project Ariadne: Prompt-Conditioned Route Generation for Synthesis Planning
Anton Morgunov, Victor S. Batista
Retrosynthetic planning seeks to connect a target molecule to commercially available starting materials through a multistep route. Classical planners construct such routes by itera…
cs.LG2025
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
Yu Shee, Anton Morgunov, Haote Li +1
Traditional computer-aided synthesis planning (CASP) methods rely on iterative single-step predictions, leading to exponential search space growth that limits efficiency and scalab…