ChemistryAtlas Dataset

USPTO-50K

Reactions and synthesisreactionretrosynthesisUSPTO
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Curated 50k reaction subset from patent reactions, widely used for retrosynthesis and product prediction benchmarks.

Category: Reactions and synthesis.

Citation: Schneider et al.; Jin et al., NeurIPS 2017.

TypeDataset
DomainReactions and synthesis
LicenseOpen research dataset
ContributorsLowe; Jin et al.