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Nature11 min read

Guiding large language models to predict edit sequences for molecular synthesizability optimization

Generative artificial intelligence has revolutionized the exploration of chemical space, yet a critical bottleneck remains that a substantial fraction of generated molecules is synthetically inaccessible.

By Junren LiNature Machine Intelligence
Guiding large language models to predict edit sequences for molecular synthesizability optimization

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Originally published by Nature Machine Intelligence on Sep 23, 2026.

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