GraphDTA

Reported on 5 benchmarks across 2 tasks · 1 paper · 1 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Medical5 results

Protein-Ligand Affinity PredictiononPDBbind
RMSE· 2021-07-21
1.562
best: 1.211 (PLAPT)
SOTA
Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity arXiv:2107.10670
Drug DiscoveryonDAVIS-DTA
CI
0.864
best: 0.89 (SMT-DTA)
Drug DiscoveryonDAVIS-DTA
MSE
0.263
best: 0.219 (SMT-DTA)
Drug DiscoveryonKIBA
CI
0.862
best: 0.894 (SMT-DTA)
Drug DiscoveryonKIBA
MSE
0.183
best: 0.154 (SMT-DTA)