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Hydrogen Bond Acceptor (HBA) Prediction on PubChem 100K molecules (test)
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0.99
Pearson Correlation
Chemprop
0.002
0.2585
0.515
0.7715
Jul 3, 2026
Pearson Correlation
MAE
Updated 18d ago
Evaluation Results
Method
Method
Links
Pearson Correlation
MAE
Chemprop
Architecture=GNN
2026.07
0.99
0.11
MolBasic
2026.07
0.99
0.16
ChemMLLM
Parameters=34B
2026.07
0.96
0.26
ChemMLLM
Parameters=7B
2026.07
0.94
0.44
Chemception
Architecture=CNN
2026.07
0.84
0.93
ChemVLM
Parameters=8B
2026.07
0.32
4.58
InternVL-v1.5
Parameters=20B
2026.07
0.22
2.41
Qwen-VL
Parameters=7B
2026.07
0.05
4.91
LLaVA-v1.5
Parameters=7B
2026.07
0.04
2.93
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