Table 3 Performance metrics for Niflumic acid solubility prediction.
Model | R-squared | RMSE | AARD% | Max Error | |
|---|---|---|---|---|---|
Train | ADA-ARD | 0.88032 | 3.9987E-01 | 2.51012E + 01 | 9.99869E-01 |
ADA-BRR | 0.82017 | 4.5014E-01 | 2.95978E + 01 | 1.20332E + 00 | |
ADA-GPR | 0.99513 | 9.9978E-02 | 5.08127E + 00 | 1.99940E-01 | |
10-fold CV | ADA-ARD | 0.81025 | 5.0117E-01 | 3.30326E + 01 | 1.23048E + 00 |
ADA-BRR | 0.75038 | 5.4993E-01 | 3.79281E + 01 | 1.30427E + 00 | |
ADA-GPR | 0.98309 | 1.5066E-01 | 1.16914E + 01 | 2.50275E-01 | |
Test | ADA-ARD | 0.82487 | 4.7669E-01 | 3.17866E + 01 | 1.13665E + 00 |
ADA-BRR | 0.76323 | 5.3640E-01 | 3.65003E + 01 | 1.24325E + 00 | |
ADA-GPR | 0.98661 | 1.4014E-01 | 9.14587E + 00 | 2.40965E-01 |
