Molecular Property Prediction (Regression) on Lipophilicity
0.599RMSEDMMRL
Evaluation Results
| Method | Links | |
|---|---|---|
| DMMRL2026.03 | 0.599 | |
| SGGRL2026.03 | 0.617 | |
| FP-GNN2026.03 | 0.625 | |
| MvMRL2026.03 | 0.634 | |
| GROVER2026.03 | 0.643 | |
| MPNN2026.03 | 0.645 | |
| GraSeq2026.03 | 0.648 | |
| MolCLR2026.07 | 0.65 | |
| RNN2026.03 | 0.77 | |
| SciReasoner2026.07 | 0.8 | |
| GraSPNet2026.02 | 0.813 | |
| MolCLRGCNModel Type=Graph-based2026.06 | 0.819 | |
| GROVE2026.02 | 0.823 | |
| MolCLRGINModel Type=Graph-based2026.06 | 0.824 | |
| SimSGT2026.02 | 0.835 | |
| MolCLRCMPNNModel Type=Graph-based2026.06 | 0.875 | |
| N-Gram2026.03 | 0.876 | |
| GPT-4oStrategy=+MOLE-RAG2026.06 | 0.894 | |
| Transformer2026.03 | 0.9 | |
| SchNetModel Type=Graph-based2026.06 | 0.909 | |
| SVMCategory=ML Models2026.02 | 0.96 | |
| GPT-4o-miniStrategy=+MOLE-RAG2026.06 | 0.964 | |
| Infomax2026.02 | 0.97 | |
| GROVERModel Type=Graph-based2026.06 | 0.974 | |
| AttrMasking2026.02 | 0.982 | |
| GAT + FPCategory=Hybrid (GNN+FP)2026.02 | 0.99 | |
| XGBoostCategory=ML Models2026.02 | 1 | |
| GraphCL2026.02 | 1.014 | |
| GCN + FPCategory=Hybrid (GNN+FP)2026.02 | 1.02 | |
| GraphSAGE + FPCategory=Hybrid (GNN+FP)2026.02 | 1.02 | |
| ChemDFM14BStrategy=+MOLE-RAG2026.06 | 1.021 | |
| GIN + FPCategory=Hybrid (GNN+FP)2026.02 | 1.04 | |
| ContextPred2026.02 | 1.053 | |
| EdgePred2026.02 | 1.085 | |
| JOAO2026.02 | 1.093 | |
| Qwen34B-InstStrategy=+MOLE-RAG2026.06 | 1.105 | |
| MGSSL2026.02 | 1.106 | |
| Random ForestCategory=ML Models2026.02 | 1.11 | |
| MGCNModel Type=Graph-based2026.06 | 1.113 | |
| GATCategory=GNN Models2026.02 | 1.19 | |
| GINCategory=GNN Models2026.02 | 1.19 | |
| GraphSAGECategory=GNN Models2026.02 | 1.19 | |
| TrimNet2026.03 | 1.202 | |
| Mistral7B-InstStrategy=+MOLE-RAG2026.06 | 1.21 | |
| GCNCategory=GNN Models2026.02 | 1.23 | |
| GraphFP2026.02 | 1.371 | |
| GPT-4oStrategy=Baseline2026.06 | 1.448 | |
| GPT-4o-miniStrategy=Baseline2026.06 | 1.667 | |
| Llama3.2-3BStrategy=+MOLE-RAG2026.06 | 1.706 | |
| Linear RegressionCategory=ML Models2026.02 | 2.16 | |
| ChemDFM14BStrategy=Baseline2026.06 | 2.347 | |
| Qwen34B-InstStrategy=Baseline2026.06 | 2.456 | |
| Mistral7B-InstStrategy=Baseline2026.06 | 3.347 | |
| Llama3.2-3BStrategy=Baseline2026.06 | 4.095 |