Δ2 machine learning for reaction property prediction† † Electronic supplementary information (ESI) available: A detailed analysis of outliers, the performance of applying machine learning force field as the low-cost method, extension to the enthalpy of reaction prediction, some figures and tables referenced in the main text. See DOI: https://doi.org/10.1039/d3sc02408c
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ABSTRACT:
SUBMITTER: Zhao Q
PROVIDER: S-EPMC10686042 | biostudies-literature | 2023 Jul
REPOSITORIES: biostudies-literature
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