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Tags: Computational Chemistry

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Assessing the Accuracy of Machine-Learning Models for Chemical Reaction Prediction

https://davku.lnx.warwick.ac.uk/files/original/50a439ddc92e6a3d86ff5a4e3d8adf57.pdf

Tags: Chemistry, Computational Chemistry, DFT, Machine learning, NEB, Nudged Elastic Band, Rastislav Turányi, Reaction Discovery

Assessing the Accuracy of Machine-Learning Models for Chemical Reaction Prediction

https://davku.lnx.warwick.ac.uk/files/original/dfdbbd97095de15ff791724b34557841.pdf

Tags: Chemistry, Computational Chemistry, DFT, Machine learning, NEB, Nudged Elastic Band, Rastislav Turányi, Reaction Discovery

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