PaRoutes: towards a framework for benchmarking retrosynthesis route predictions
Benchmarking
Retrosynthetic analysis
DOI:
10.1039/d2dd00015f
Publication Date:
2022-07-12T09:22:16Z
AUTHORS (2)
ABSTRACT
PaRoutes is a framework benchmarking multi-step retrosynthesis methods. It consists of synthetic routes extracted from the patent literature, stock compounds, as well scripts to compute route quality and diversity metrics.
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CITATIONS (28)
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