iqspr (version 2.3)

use_Model: get the prediction from a given model

Description

Get the prediction from a desired regression model. For a Bayesian linear prediction, see use_linearBayes.

Usage

use_Model(newx = NULL, model_name = "elasticnet", model = NULL)

Arguments

newx

is a matrix of features (e.g. fingerprints and/or physical descriptors), issued from a test/validation set, for which the properties (e.g. targeted chemical properties) are predicted.

model_name

is the model's name to be built ("elasticnet" by default).

model

is the trained regression model, issued from get_Model, to be used as a predictor.

Value

the predicted properties.

Examples

# NOT RUN {
elasticNet_pred <- use_Model(newx, model_name = "elasticnet", model = elasticnet_model)
# }
# NOT RUN {
# }