RMSE: 1.418
Papers with Code · CC BY-SA 4.0
Molecular Property Prediction
Molecular property prediction is the task of predicting the properties of a molecule from its structure.
논문
RMSE: 2.082
RMSE: 1.859
RMSE: 1.877
RMSE: 2.688
RMSE: 2.176
RMSE: 1.620
RMSE: 0.595±0.013R2: 0.977±0.001
RMSE: 1.065±0.039R2: 0.927±0.005
RMSE: 0.657±0.059R2: 0.972±0.005
RMSE: 0.791±0.101R2: 0.959±0.011
RMSE: 0.676±0.081R2: 0.970±0.007
RMSE: 0.744±0.083R2: 0.964±0.008
ROC-AUC: 99.2
ROC-AUC: 95.3±0.2
RMSE: 1.648±0.074
RMSE: 0.870±0.081R2: 0.951±0.009
RMSE: 1.038±0.125R2: 0.930±0.018
RMSE: 1.462±0.188R2: 0.861±0.037
RMSE: 1.09
RMSE: 0.815±0.086R2: 0.957±0.009
RMSE: 2.764
ROC-AUC: 94.7±0.2