Table 3 Results of models for solubility in the external validation dataset.

From: Raloxifene solubility in supercritical CO2 and correlation of drug solubility via hybrid machine learning and gradient based optimization

Model

R-squared Score

RMSE

AARD%

Max Error

ET

0.95127

0.39250

6.12417

0.88972

RF

0.90510

0.53831

8.02396

1.15328

GB

0.88986

0.70045

17.45783

1.35146

Back to article page