PQSAR

z-scale QSAR Result table

Bioactive peptide	Model	A	R²	Q²	P²	RMSEE	RMSCV	RMSEP	Reference
ACE inhibitory Tetrapeptides	PLS	1	0.582	0.314	-	0.493	-	-	Shu M, Cheng X, Zhang Y, et al. Predicting the activity of ACE inhibitory peptides with a novel mode of pseudo amino acid composition . Protein and peptide letters, 2011, 18(12): 1233-1243.[full text]
Cationic AMPs	PLS	2	0.741	0.524	-	1.076	-	-	Hellberg, S., Eriksson, L., Jonsson, J., Lindgren, F., Sjostrom, M., Skagerberg, B., Wold, S., Andrews, P., 1991. Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships. Int. J. Pept. Protein Res. 37, 414-424.[full text]
Cationic AMPs	GA-PLS	2	0.773	0.658	-	1.008	-	-	Hellberg, S., Eriksson, L., Jonsson, J., Lindgren, F., Sjostrom, M., Skagerberg, B., Wold, S., Andrews, P., 1991. Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships. Int. J. Pept. Protein Res. 37, 414-424.[full text]
Cationic AMPs	PLS	1	0.71	0.61	0.32	1.12	-	1.7	S. Hellberg, M. Sjçstrçm, B. Skagerberg, S. Wold, J. Med. Chem. 1987, 30, 1126 – 1135.[full text]
Cationic AMPs	PLS	2	0.76	0.55	0.24	1.02	-	1.8	S. Hellberg, M. Sjçstrçm, B. Skagerberg, S. Wold, J. Med. Chem. 1987, 30, 1126 – 1135.[full text]

Explanation

Bioactive Peptide: name of peptide dataset.
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.