Table 4 The statistical regression metrics of FP-BERT
From: A fingerprints based molecular property prediction method using the BERT model
Datasets | \(R^2\) | \(Q^2\) 6 | p-value versus RMSE of FP2Vec |
|---|---|---|---|
ESOL | 0.998 | 0.889 | 0.001 |
FreeSolv | 0.990 | 0.929 | 0.001 |
Lipophilicity | 0.955 | 0.679 | 4.99E-05 |
Malaria | 0.787 | 0.229 | 0.092 |
CEP | 0.913 | 0.766 | 0.012 |