The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata)
University of Geneva · Institute for Systems Biology · +3 more institutions
Abstract
Tabular CSV exports of the LOTUS Initiative (https://doi.org/10.7554/eLife.70780) data from https://www.wikidata.org. File Description {date_str}_frozen.csv.gz Core triplet table: each row is a unique (structure InChIKey, organism Wikidata QID, reference Wikidata QID) triple with organism name, reference DOI, and manual validation status. {date_str}_frozen_metadata.csv.gz Comprehensive metadata table: enriched with structural descriptors (InChI, SMILES, molecular formula, exact mass, stereocenters), chemical classifications (NPClassifier, ClassyFire), biological taxonomy (Open Tree of Life), PubChem compound properties, and literature references (DOI, PMID, PMCID). {date_str}_changes_report.txt Change report:…
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Authors
3Topics & keywords
- Metadata
- Lotus
- Computer science
- Open source
- World Wide Web
- Natural (archaeology)
- Information retrieval
- Database