A machine learning based approach to reaction rate estimation
Open Access
- 15 February 2024
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Reaction Chemistry & Engineering
- Vol. 9 (6) , 1364-1380
Abstract
Development of a machine learning algorithm for automatically training subgraph isomorphic decision trees (SIDT) to predict reaction rate coefficients.Keywords
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Funding Information
- Office of Energy Efficiency and Renewable Energy (DE-EE0007982)
- U.S. Department of Energy (17-SC-20-SC)
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