OPLS model object from metabom8

An S4 class to represent an OPLS model constructed with metabom8.

Slots

type

Character string indicating model type (e.g., "OPLS")

t_pred

Predictive component scores (matrix)

p_pred

Predictive loadings (matrix)

w_pred

Predictive weights (matrix)

betas_pred

Regression coefficients (numeric)

Qpc

Predicted Y values per component (matrix)

t_pred_cv

Cross-validated predictive scores (matrix)

t_orth_cv

Cross-validated orthogonal scores (matrix)

t_orth

Orthogonal scores (matrix)

p_orth

Orthogonal loadings (matrix)

w_orth

Orthogonal weights (matrix)

nPC

Number of predictive components (numeric)

summary

Model performance metrics (data.frame)

X_orth

Orthogonal part of X (matrix)

Y_res

Residuals of Y (matrix)

X_res

Residuals of X (matrix)

X_mean

Mean of each feature in X (numeric)

X_sd

Standard deviation of each feature in X (numeric)

Y_mean

Mean of Y (numeric)

Y_sd

Standard deviation of Y (numeric)

Parameters

List of parameters used during training

X

Original input data (matrix)

X_scaled

Scaled version of X (matrix)

Y

Target variable (list)

See also

Other NMR & MS: PCA_metabom8-class, PLS_metabom8-class

Author

tkimhofer@gmail.com