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Absorption Regression on Caco2 Wang (train-test)
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0.49
RMSE
MolFormer
0.4832
0.5291
0.575
0.6209
Jun 22, 2026
RMSE
Updated 1mo ago
Evaluation Results
Method
Method
Links
RMSE
MolFormer
Pooling=Mean
2026.06
0.49
SAE
Pooling=Max
2026.06
0.5
SAE
Pooling=Mean
2026.06
0.51
MolFormer
Pooling=Max
2026.06
0.52
PcDs
Description=Physicoche...
2026.06
0.54
ECFP
Radius=4
2026.06
0.56
ECFP
Radius=2
2026.06
0.59
ECFP
Radius=0
2026.06
0.66
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