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Models/N-GramRF

N-GramRF

Reported on 20 benchmarks across 2 tasks · 1 paper · 12 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Methodology10 results

Molecular Property PredictiononFreeSolv
RMSE· 2018-06-24
2.688
best: 1.09 (SMA)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononLipophilicity
RMSE· uses extra data· 2018-06-24
0.812
best: 0.603 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononQM7
MAE· 2018-06-24
92.8
best: 41.8 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononBBBP
ROC-AUC· 2018-06-24
69.7
best: 96.4 (DumplingGNN)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononQM9
MAE· 2018-06-24
0.01037
best: 0.00467 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononQM8
MAE· 2018-06-24
0.0236
best: 0.0156 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property Predictiononclintox
ROC-AUC· 2018-06-24
77.5
best: 99.2 (Deep-CBN)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononSIDER
ROC-AUC· 2018-06-24
66.8
best: 91.11 (BioAct-Het)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononTox21
ROC-AUC· 2018-06-24
74.3
best: 92.4 (Deep-CBN)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Molecular Property PredictiononBACE
ROC-AUC· 2018-06-24
77.9
best: 88.4 (MolXPT)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206

Medical10 results

Atomistic DescriptiononFreeSolv
RMSE· 2018-06-24
2.688
best: 1.09 (SMA)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononLipophilicity
RMSE· uses extra data· 2018-06-24
0.812
best: 0.603 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononQM7
MAE· 2018-06-24
92.8
best: 41.8 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononBBBP
ROC-AUC· 2018-06-24
69.7
best: 96.4 (DumplingGNN)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononQM9
MAE· 2018-06-24
0.01037
best: 0.00467 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononQM8
MAE· 2018-06-24
0.0236
best: 0.0156 (Uni-Mol)
SOTA
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic Descriptiononclintox
ROC-AUC· 2018-06-24
77.5
best: 99.2 (Deep-CBN)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononSIDER
ROC-AUC· 2018-06-24
66.8
best: 91.11 (BioAct-Het)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononTox21
ROC-AUC· 2018-06-24
74.3
best: 92.4 (Deep-CBN)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206
Atomistic DescriptiononBACE
ROC-AUC· 2018-06-24
77.9
best: 88.4 (MolXPT)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules arXiv:1806.09206