Hydrogen Bond Acceptor (HBA) Prediction on PubChem 100K molecules (test)
0.99Pearson CorrelationChemprop
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ChempropArchitecture=GNN2026.07 | 0.99 | 0.11 | |
| MolBasic2026.07 | 0.99 | 0.16 | |
| ChemMLLMParameters=34B2026.07 | 0.96 | 0.26 | |
| ChemMLLMParameters=7B2026.07 | 0.94 | 0.44 | |
| ChemceptionArchitecture=CNN2026.07 | 0.84 | 0.93 | |
| ChemVLMParameters=8B2026.07 | 0.32 | 4.58 | |
| InternVL-v1.5Parameters=20B2026.07 | 0.22 | 2.41 | |
| Qwen-VLParameters=7B2026.07 | 0.05 | 4.91 | |
| LLaVA-v1.5Parameters=7B2026.07 | 0.04 | 2.93 |