From: Application of fourier transform and proteochemometrics principles to protein engineering
Set | Partition | cvR2 | cvRMSE |
---|---|---|---|
Cyt P450 (thermostability) | Full set (10-fold CV) | 0.96 | 1.19 |
Train set (80%) (10-fold CV) | 0.93 | 1.33 | |
Validation set (20%) | 0.92 | 1.72 | |
Enterotoxins (thermostability) | Full set (LOOCV) | 0.95 | 1.58 |
Train set (80%) (LOOCV) | 0.85 | 2.58 | |
Validation set (20%) | 0.99 | 0.59 | |
TNF (relative binding affinities) | Full set (LOOCV) | 0.85 | 0.31 |
Train set (80%) (LOOCV) | 0.86 | 0.33 | |
Validation set (20%) | 0.92 | 0.20 | |
GLP-2 Potency (fold-increase in cAMP) | Full set (LOOCV) | 0.42 | 2.05 |
Train set (80%) (LOOCV) | 0.75 | 1.39 | |
Validation set (20%) | 0.71 | 1.44 |