Datasets › DAVIS-DTA
DAVIS-DTA
Dataset Description: The interaction of 72 kinase inhibitors with 442 kinases covering >80% of the human catalytic protein kinome.
Task Description: Regression. Given the target amino acid sequence/compound SMILES string, predict their binding affinity.
Dataset Statistics: 0.3.2 Update: 25,772 DTI pairs, 68 drugs, 379 proteins. Before: 27,621 DTI pairs, 68 drugs, 379 proteins.
[1] Davis, M., Hunt, J., Herrgard, S. et al. Comprehensive analysis of kinase inhibitor selectivity. Nat Biotechnol 29, 1046–1051 (2011).
[2] Huang, Kexin, et al. “DeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction” Bioinformatics.
Benchmarks archive 2025-07-28
All 3 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 | DAVIS-DTA | SMT-DTA CI 0.890 | SSM-DTA: Breaking the Barriers of Data Scarcity in... | qizhipei/ssm-dta +1 | 4 | Compare |
| DAVIS-DTA | PGraphDTA MSE 0.221 | PGraphDTA: Improving Drug Target Interaction Prediction... | yijia-xiao/pgraphdta | 1 | Compare | |
| Protein Language Model | DAVIS-DTA | LEP-AD CI 89.5 | LEP-AD: Language Embedding of Proteins and Attention to... | adaga06/LEP-AD | 1 | Compare |
Papers archive 2025-07-28
6 shown of 6 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 6. 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 | |||
|---|---|---|---|---|
| PGraphDTA: Improving Drug Target Interaction Prediction using Protein Language Models and Contact Maps | 1 | 1 | 6 Oct 2023 | not harvested |
| LEP-AD: Language Embedding of Proteins and Attention to Drugs predicts drug target interactions | 1 | 1 | 15 Mar 2023 | not harvested |
| 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
- DAVIS-DTA
1 variant name, as the archive lists them.
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