Hydrogen Bond Donor (HBD) Prediction on PubChem 100K molecules (test)
0.99Pearson CorrelationChemprop
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ChempropArchitecture=GNN2026.07 | 0.99 | 0.03 | |
| MolBasic2026.07 | 0.99 | 0.05 | |
| ChemMLLMParameters=34B2026.07 | 0.96 | 0.11 | |
| ChemMLLMParameters=7B2026.07 | 0.94 | 0.13 | |
| ChemceptionArchitecture=CNN2026.07 | 0.81 | 0.58 | |
| ChemVLMParameters=8B2026.07 | 0.49 | 1.35 | |
| InternVL-v1.5Parameters=20B2026.07 | 0.03 | 2.24 | |
| LLaVA-v1.5Parameters=7B2026.07 | 0.004 | 3.74 | |
| Qwen-VLParameters=7B2026.07 | -0.02 | 1.42 |