A property-stratified single-step retrosynthesis benchmark derived from the
public USPTO reaction collection. Each test row is selected to broaden
coverage of the long-tailed reaction-property axes (rare reaction classes,
large reaction centers, spiro / bridged scaffolds, multi-component
reactions, partially-specified stereo, novel Bemis–Murcko scaffolds) while
holding the test split product-disjoint from the dominant retrosynthesis
training corpora (USPTO-50k… See the full description on the dataset page:
https://huggingface.co/datasets/neuripssubmission737/uspto_advanced_v1.
