RXNI Historical USPTO Reaction Library (1976–2016) - Release 1

RXNI v0.1 โ€" USPTO 1976โ€"2016 Reaction Retrieval Library Drived from Daniel Lowe's original dataset DOI 10.6084/m9.figshare.5104873.v1 Release: Historical USPTO Reaction Library, Release 1Compatible software: RXNI v0.1.0 ยท Source repositoryContents: 812,916 indexed reaction records, 42,128 retrosynthetic reaction SMARTS templates, structural indexes, semantic representations, and verification metadataFormat: Parquet and SQLite, with an rxni-library.json descriptorData provenance: An RXNI-processed subset of the historical USPTO patent-reaction corpus conventionally described as 1976โ€"2016. The compact runtime dataset does not include per-reaction publication dates; the year span should not be interpreted as independently verified for every included reaction.