Table 7 The MolLogP prediction power
From: Improving VAE based molecular representations for compound property prediction
Descriptors | MolLogP RMSE (logS-correlated descriptors) | MolLogP RMSE (logD-correlated descriptors) |
|---|---|---|
MolLogP | 0.287 ± 0.0009 | 0.287 ± 0.0009 |
MolLogP + 1 more | 0.290 ± 0.0010 | 0.285 ± 0.0008 |
MolLogP + 2 more | 0.290 ± 0.0006 | 0.285 ± 0.0008 |