ChemistryAtlas Dataset

Schneider 50K Reaction Classes

Name: Schneider 50K Reaction Classes
Published: 2026-06-11T01:31:02.788081+00:00
License: Open research dataset

Reactions and synthesisreaction classesUSPTObenchmark

Expert-classified reaction benchmark often paired with USPTO-50K retrosynthesis experiments.

Category: Reactions and synthesis.

Citation: Schneider et al., J Chem Inf Model 2016.

TypeDataset

DomainReactions and synthesis

LicenseOpen research dataset

ContributorsSchneider, Stiefl, Landrum; Coley users