Table 5 RRegrs best model statistics reported for the three use cases. Both LOO and CV values are considered
From: RRegrs: an R package for computer-aided model selection with multiple regression models
Use case | Best model | Data split | Features no. | Validation type | adj.R2 | \({\text{R}}_{\text{CV/LOO}}^{ 2}\) | \({\text{R}}_{\text{test}}^{ 2}\) | RMSECV/LOO | RMSEtest |
|---|---|---|---|---|---|---|---|---|---|
UC1: protein corona | |||||||||
 129 proteins | SVRM | 5 | 99 | LOO, CV | 1.03 | 0.644/0.61 | 0.844 | 0.618/0.643 | 0.357 |
 76 proteins | SVRM | 5 | 60 | LOO, CV | 0.407 | 0.767/0.741 | 0.89 | 0.525/0.527 | 0.296 |
UC2: metal oxides | ENET | 8 | 8 | LOO | 0.808 | 0.7 | 0.998 | 0.588 | 0.246 |
UC3: toxicity data | SVRM | 2 | 8 | LOO | 0.685 | 0.506 | 0.657 | 0.705 | 0.609 |