Datasets › KIBA
KIBA
Dataset Description: Toward making use of the complementary information captured by the various bioactivity types, including IC50, K(i), and K(d), Tang et al. introduces a model-based integration approach, termed KIBA to generate an integrated drug-target bioactivity matrix.
Task Description: Regression. Given the target amino acid sequence/compound SMILES string, predict their binding affinity.
Dataset Statistics: 0.3.2 Update: 117,657 DTI pairs, 2,068 drugs, 229 proteins. Before: 118,036 DTI pairs, 2,068 drugs, 229 proteins.
References:
[1] Tang J, Szwajda A, Shakyawar S, et al. Making sense of large-scale kinase inhibitor bioactivity data sets: a comparative and integrative analysis. J Chem Inf Model. 2014;54(3):735-743.
[2] Huang, Kexin, et al. “DeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction” Bioinformatics.
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 Discovery | KIBA | SMT-DTA CI 0.894 | SSM-DTA: Breaking the Barriers of Data Scarcity in... | qizhipei/ssm-dta +1 | 4 | 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 5. 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 | |||
|---|---|---|---|---|
| SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction | 2 | 1 | 20 Jun 2022 | ran 0 of 3 samples (3 unverified) |
| DeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction | 1 | 1 | 19 Apr 2020 | not harvested |
| GraphDTA: prediction of drug–target binding affinity using graph convolutional networks | 1 | 1 | 2 Jul 2019 | not harvested |
| DeepDTA: Deep Drug-Target Binding Affinity Prediction | 4 | 1 | 30 Jan 2018 | 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
No modality tagged.
Languages archive 2025-07-28
No language tagged.
Variants archive 2025-07-28
- KIBA
1 variant name, as the archive lists them.
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