Project Ariadne: Prompt-Conditioned Route Generation for Synthesis Planning
Retrosynthetic planning seeks to connect a target molecule to commercially available starting materials through a multistep route. Classical planners construct such routes by iteratively applying single-step reaction models within a search procedure; constrained variants often require specialized algorithms or architectural changes. Direct route generation reframes retrosynthesis as sequence generation, but existing direct-generation methods still train separate models for different planning specifications. We introduce Ariadne, a decoder-only route generator that represents the target, optional constraints, and route in one prompt-completion sequence. On the RetroCast/PaRoutes mkt-cnv-16...
| Authors | Anton Morgunov, Victor S. Batista |
|---|---|
| Primary category | cs.LG |
| Published | 23 June 2026 |
| Last updated at source | 23 June 2026 |
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