THEOBROMA: an aggregated open database of 1.13 million natural products with per-compound license auditing, three-tier classification, and stereochemistry-aware deduplication.

THEOBROMA aggregates 1,132,805 natural products from 29 open sources with per-compound license auditing, resolving each compound’s license tier using most-restrictive-wins.

• Why it matters: License terms at database granularity can propagate across aggregates, and mismatches in classification provenance and stereoisomer relationships can limit reliable downstream use.
• What they did: The platform performs per-compound license audits across all attesting sources, exposes provenance via an audit endpoint and query-time license filter, and applies three-tier classification plus stereochemistry-aware deduplication.
• The result: 896,242 compounds (79.12%) are identified under open-use licenses, enabling license-compatible virtual screening and isomer-specific bioactivity analysis at corpus scale.

AI summary of the abstract · may contain errors · not medical advice · read the paper.