Method | Training set | Test set | RMSE (fb) | MAE (fb) | R (ln Ka) |
---|---|---|---|---|---|
ridge-CP-LOO (baseline #3) | Cyclic peptide drugs (LOOCV) | Cyclic peptide drugs (LOOCV) | 0.338 | 0.244 | 0.418 |
lasso-CP-LOO (baseline #4) | Cyclic peptide drugs (LOOCV) | Cyclic peptide drugs (LOOCV) | 0.358 | 0.286 | 0.289 |
ridge-CP (baseline #3) | Cyclic peptide drugs (# = 24) | Synthetic cyclic peptides (# = 16) | 0.413 | 0.354 | 0.442 |
lasso-CP (baseline #4) | Cyclic peptide drugs (# = 24) | Synthetic cyclic peptides (# = 16) | 0.688 | 0.627 | 0.069 |