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October 3, 2025Open Access

Rethinking Molecule Synthesizability with Chain-of-Reaction

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Authors

SLSeul LeeKKKarsten KreisSVSrimukh Prasad Veccham

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Overview

Generative framework enhances synthesizable molecule projection and optimization, indicating significant advancements.

Key Points

  • ReaSyn achieves a high reconstruction rate in synthesizable molecule construction, greatly improving previous models.
  • The framework employs chain-of-reaction notation, providing better supervision during the learning of chemical rules.
  • Reinforcement learning is utilized for finetuning, enhancing ReaSyn's capability in navigating complex chemical spaces.
  • Results demonstrate superior performance in synthesizable hit expansion, highlighting its effectiveness in molecular optimization.

Cite This Study

Lee et al. (2025) studied this question.

synapsesocial.com/papers/68e040eda99c246f578b340dhttps://doi.org/10.48550/arxiv.2509.16084
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