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Hydrogen Bond Donor (HBD) Prediction on PubChem 100K molecules (test)
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0.99
Pearson Correlation
Chemprop
-0.0604
0.2123
0.485
0.7577
Jul 3, 2026
Pearson Correlation
MAE
Updated 18d ago
Evaluation Results
Method
Method
Links
Pearson Correlation
MAE
Chemprop
Architecture=GNN
2026.07
0.99
0.03
MolBasic
2026.07
0.99
0.05
ChemMLLM
Parameters=34B
2026.07
0.96
0.11
ChemMLLM
Parameters=7B
2026.07
0.94
0.13
Chemception
Architecture=CNN
2026.07
0.81
0.58
ChemVLM
Parameters=8B
2026.07
0.49
1.35
InternVL-v1.5
Parameters=20B
2026.07
0.03
2.24
LLaVA-v1.5
Parameters=7B
2026.07
0.004
3.74
Qwen-VL
Parameters=7B
2026.07
-0.02
1.42
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