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DOE OSTI · 2311028

A machine learning based approach to reaction rate estimation

Abstract

Development of a machine learning algorithm for automatically training subgraph isomorphic decision trees (SIDT) to predict reaction rate coefficients.

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BibTeXRIS

Johnson, Matthew S., Green, William H.. 2024-05-28. A machine learning based approach to reaction rate estimation. https://doi.org/10.1039/d3re00684k

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