use_Model: get the prediction from a given model

In iqspr: Inverse Molecular Design

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)

iqspr documentation built on Aug. 1, 2017, 9:02 a.m.