Kernel Methods for Predicting Yields of Chemical Reactions

Alexe L. Haywood, Joseph Redshaw, Magnus W. D. Hanson-Heine, Adam Taylor, Alex Brown, Andrew M. Mason, Thomas Gärtner, Jonathan D. Hirst. Kernel Methods for Predicting Yields of Chemical Reactions. Journal of Chemical Information and Computer Sciences, 62(9):2077-2092, 2022. [doi]

Authors

Alexe L. Haywood

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Joseph Redshaw

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Magnus W. D. Hanson-Heine

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Adam Taylor

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Alex Brown

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Andrew M. Mason

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Thomas Gärtner

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Jonathan D. Hirst

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