Skip to main content
. 2025 Aug 8;65(16):8486–8496. doi: 10.1021/acs.jcim.5c01016

5. Results of the Regression Estimation Process.

Model R2 Score for Removal Percentage R2 Score for Adsorption Capacity
GB 0.8858 0.9532
XGBoost 0.8423 0.9424
RF 0.8268 0.9086
MLP 0.8003 0.8614