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January 1, 2022Digital Discovery55 citationsOpen Access

PaRoutes: towards a framework for benchmarking retrosynthesis route predictions

SGSamuel GenhedenEBEsben Jannik Bjerrum

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Abstract

PaRoutes is a framework benchmarking multi-step retrosynthesis methods. It consists of synthetic routes extracted from the patent literature, stock compounds, as well as scripts to compute route quality and route diversity metrics.

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Cite This Study

Genheden et al. (2022) studied this question.

synapsesocial.com/papers/6a4134ce5df978126707be3chttps://doi.org/10.1039/d2dd00015f
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