# Regression on Lipophilicity random 6:2:2 (test)

Source: [Regression on Lipophilicity random 6:2:2 (test)](<https://www.sota2.com/research/sota/regression-on-lipophilicity-random-6-2-2-test>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2026-05-18T09:09:11.911Z

Evaluation of regression model performance on the specific 6:2:2 random test split of the Lipophilicity dataset, measured using RMSE.

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

| Scope | Recorded value |
| --- | --- |
| Task | Regression |
| Dataset (including any stated split) | Lipophilicity random 6:2:2 (test) |
| Metric | RMSE |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 17 of 17 |
| Coverage | All results currently returned for this benchmark |

Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol.

## Metrics

- [RMSE](<https://www.sota2.com/research/sota/regression-on-lipophilicity-random-6-2-2-test.md?metric=RMSE>): Lower is better; unit: SCALAR.

## Recorded results

| Method | RMSE | Result date | Report paper |
| --- | --- | --- | --- |
| MolCHG | 0.745 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| S-CGIB | 0.762 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| SimSGT | 0.771 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| GROVER | 0.823 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| HiMol | 0.826 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| MICRO-Graph | 0.851 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| GraphLoG | 0.932 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| Infomax | 0.97 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| AttrMasking | 0.982 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| GraphCL | 1.014 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| ContextPred | 1.053 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| EdgePred | 1.085 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| MoAMa | 1.085 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| JOAO | 1.093 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| MGSSL | 1.106 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| JOAOv2 | 1.116 | Not recorded | 6a0a9d33dbc836b87d82b556 |
| GraphFP | 1.371 | Not recorded | 6a0a9d33dbc836b87d82b556 |

### MolCHG

RMSE: 0.745. Result ID: 6a0ad72847f34ce924f13405.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### S-CGIB

RMSE: 0.762. Result ID: 6a0ad72847f34ce924f13404.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa764d1e209131cea6c435.md>)

[Implementation](<https://github.com/NSLab-CUK/S-CGIB>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### SimSGT

RMSE: 0.771. Result ID: 6a0ad72847f34ce924f13401.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa71cd1e209131cea53097.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### GROVER

RMSE: 0.823. Result ID: 6a0ad72847f34ce924f13400.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f0b1e209131ce9e72da.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### HiMol

RMSE: 0.826. Result ID: 6a0ad72847f34ce924f13403.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### MICRO-Graph

RMSE: 0.851. Result ID: 6a0ad72847f34ce924f133fe.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa69ca1e209131cea24078.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### GraphLoG

RMSE: 0.932. Result ID: 6a0ad72847f34ce924f133fc.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6a1c1e209131cea25f1d.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### Infomax

RMSE: 0.97. Result ID: 6a0ad72847f34ce924f133f8.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa556d1e209131ce993d7e.md>)

[Implementation](<https://github.com/PetarV-/DGI>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### AttrMasking

RMSE: 0.982. Result ID: 6a0ad72847f34ce924f133f6.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa671b1e209131cea14492.md>)

[Implementation](<http://snap.stanford.edu/gnn-pretrain>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### GraphCL

RMSE: 1.014. Result ID: 6a0ad72847f34ce924f133fb.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa69b41e209131cea23935.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### ContextPred

RMSE: 1.053. Result ID: 6a0ad72847f34ce924f133f5.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa671b1e209131cea14492.md>)

[Implementation](<http://snap.stanford.edu/gnn-pretrain>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### EdgePred

RMSE: 1.085. Result ID: 6a0ad72847f34ce924f133f7.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa64c31e209131cea0664e.md>)

[Implementation](<http://snap.stanford.edu/graphsage/>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### MoAMa

RMSE: 1.085. Result ID: 6a0ad72847f34ce924f13402.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f6c1e209131ce9e9b76.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### JOAO

RMSE: 1.093. Result ID: 6a0ad72847f34ce924f133f9.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6a3b1e209131cea26d42.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### MGSSL

RMSE: 1.106. Result ID: 6a0ad72847f34ce924f133ff.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f221e209131ce9e7c7f.md>)

[Implementation](<https://github.com/zaixizhang/MGSSL>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### JOAOv2

RMSE: 1.116. Result ID: 6a0ad72847f34ce924f133fa.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6a3b1e209131cea26d42.md>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

### GraphFP

RMSE: 1.371. Result ID: 6a0ad72847f34ce924f133fd.

[Reporting paper](<https://www.sota2.com/research/paper/6a0a9d33dbc836b87d82b556.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa71031e209131cea4e8b8.md>)

[Implementation](<https://github.com/lvkd84/GraphFP>)

Recorded evaluation configuration: {"Mode":"Fine-tuning"}. This record does not assert independent reproduction.

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