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Theoretical and Computational Chemistry

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retrosynthesis analysis

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2 results in Keywords: retrosynthesis analysis

Theoretical and Computational Chemistry

PaRoutes: a framework for benchmarking retrosynthesis route predictions

Samuel Genheden, Esben Bjerrum

Version 1 posted 28 February 2022

869

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3

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Theoretical and Computational Chemistry

Clustering of Synthetic Routes Using Tree Edit Distance

Samuel Genheden, Ola Engkvist, Esben Jannik Bjerrum

Version 1 posted 15 December 2020

613

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1

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