Osytocin-vasopressin analogues QSAR Result table
| Descriptor | Model | A | R2 | Q2 | P2 | RMSEE | RMSCV | RMSEP | Reference |
|---|---|---|---|---|---|---|---|---|---|
| φ-vector | PLS | - | 0.656 | - | - | - | - | - | Relations between Chemical Structure and Biological Activity in Peptides[full text] |
Explanation
- Descriptor: amino acid descriptors used to characterize the peptide structures and quantitative structure-activity relationship models.
- Model: modelling methods.
- A: number of principal components.
- R2: correlation coefficient for the regression of predicted and observed activities of training set.
- Q2: cross-validation square of multiple correlation coefficient value.
- P2: prediction correlation coefficient.
- RMSEE: root mean square error of estimation for the training set.
- RMSCV: root mean square error of cross-validation.
- RMSEP: root mean square error of prediction for the testing set.