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Binding affinity prediction on PDBbind 2016 (core set)
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1.316
RMSE
SIGN
1.30432
1.38316
1.462
1.54084
May 14, 2022
RMSE
MAE
SD
R
Updated 1mo ago
Evaluation Results
Method
Method
Links
RMSE
MAE
SD
R
SIGN
2022.05
1.316
1.027
1.312
0.797
LightGBM
2022.05
1.316
1.04
1.279
0.809
CatBoost
2022.05
1.321
1.045
1.27
0.812
MLP
2022.05
1.456
1.158
1.454
0.744
LR
2022.05
1.608
1.285
1.576
0.69
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