反应式机器学习势用于加速有机合成中的过渡态搜索 Reactive machine learning potential for accelerating transition state search in organic synthesis.pdf

反应式机器学习势用于加速有机合成中的过渡态搜索 Reactive machine learning potential for accelerating transition state search in organic synthesis.pdf

ARTICLEINPRESS

NatureCommunications/10.1038/s41467-026-72945-0

ArticleinPress

Reactivemachinelearningpotentialfor

acceleratingtransitionstatesearchinorganic

synthesis

Received:31August2025

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