Topological Polar Surface Area (TPSA) Prediction on PubChem 100K molecules (test)
0.99Pearson RChemprop
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ChempropArchitecture=GNN2026.07 | 0.99 | 0.91 | |
| MolBasic2026.07 | 0.99 | 2.71 | |
| ChemMLLMParameters=34B2026.07 | 0.98 | 3.54 | |
| ChemMLLMParameters=7B2026.07 | 0.97 | 6.06 | |
| ChemceptionArchitecture=CNN2026.07 | 0.84 | 14.45 | |
| InternVL-v1.5Parameters=20B2026.07 | 0.29 | 28.73 | |
| ChemVLMParameters=8B2026.07 | 0.26 | 53.66 | |
| Qwen-VLParameters=7B2026.07 | 0.19 | 82.83 | |
| LLaVA-v1.5Parameters=7B2026.07 | 0.01 | 99.14 |