Datasets › PCBA
PCBA
PCBA dataset 11 is a collection of high-quality dose-response data, formulated as a multitask learning benchmark from 128 high-throughput screening (HTS) assays.
Benchmarks archive 2025-07-28
All 2 leaderboards 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 Discovery | PCBA | GraphConv + dummy super node AUC 0.867 | Learning Graph-Level Representation for Drug Discovery | microljy/graph_level_drug_discovery +1 | 2 | Compare |
| Molecular Property Prediction | PCBA | DumplingGNN ROC-AUC 88.87 | Dumpling GNN: Hybrid GNN Enables Better ADC Payload... | — | 2 | Compare |
Papers archive 2025-07-28
4 shown of 4 papers 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 4. 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 | |||
|---|---|---|---|---|
| Dumpling GNN: Hybrid GNN Enables Better ADC Payload Activity Prediction Based on Chemical Structure | 0 | 1 | 23 Sep 2024 | not harvested |
| Uni-Mol: A Universal 3D Molecular Representation Learning Framework | 1 | 1 | 8 Sep 2022 | not harvested |
| Learning Graph-Level Representation for Drug Discovery | 2 | 1 | 12 Sep 2017 | not harvested |
| Convolutional Networks on Graphs for Learning Molecular Fingerprints | 8 | 1 | 30 Sep 2015 | ran 0 of 26 samples (26 unverified; 1 pointer-only for licence) |
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
No modality tagged.
Languages archive 2025-07-28
No language tagged.
Variants archive 2025-07-28
- PCBA
1 variant name, as the archive lists them.
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