Datasets › ATC-GRAPH
ATC-GRAPH
ATC-GRAPH is the most extensive ATC benchmark dataset. All drugs in the benchmarks are linked to their Mol files instead of the SMILES sequences utilized in earlier benchmarks. This shift allows for more precise and detailed modeling and learning. In terms of scale, ATC-GRAPH surpasses Chen-2012 and ATC-SMILES by 36.78% and 16.85%, respectively. Significantly, ATC-GRAPH was curated through a cross-validation process involving multiple resources such as KEGG, PubChem, ChEMBL, ChemSpider, and ChemicalBook. This results in ATC-GRAPH being distinguished by its timeliness and comprehensive coverage across all five levels and drug genres.
Benchmarks archive 2025-07-28
All 1 leaderboard whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| Drug ATC Classification | ATC-GRAPH | GraphATC Absolute False 0.0057 | GraphATC: advancing multilevel and multi-label... | lookwei/GraphATC | 2 | Compare |
Papers archive 2025-07-28
1 shown of 1 paper with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 1. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
| Date | Samples run Syntology | |||
|---|---|---|---|---|
| GraphATC: advancing multilevel and multi-label anatomical therapeutic chemical classification via atom-level graph learning | 1 | 2 | 26 Apr 2025 | not harvested |
Dataset loaders archive 2025-07-28
No loader listed in the archive.
Tasks archive 2025-07-28
License archive 2025-07-28
No licence recorded in the archive. Absence here is not a statement about the dataset's terms.
Modalities archive 2025-07-28
Languages archive 2025-07-28
Variants archive 2025-07-28
- ATC-GRAPH
1 variant name, as the archive lists them.
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