Skip to main content
. 2023 Oct 18;15:99. doi: 10.1186/s13321-023-00752-6

Table 2.

Estimated linear and Random Forest model evaluation for aqueous solubility predictions in the Molecular-descriptors method

Training set Test set
R2 RMSE MAE R2 RMSE MAE
RF 0.98 0.25 0.16 0.88 0.64 0.41
MLR 0.80 0.82 0.61 0.80 0.82 0.62