prediction {DEMOVA}

Predictions for the test set and graph

Description

Calulate the predicted values for the test set and trace the graph experimental values vs predicted values for both training and test sets. This function also give the R2 test coefficent.

Usage

prediction(fit, mydata, mynewdata, n)

Arguments

fit

Multi linear regression between property and selected descriptors

mydata

Dataframe containing names and values of response and descriptors

mynewdata

Dataframe containing property and selected descriptors values for the test set

n

Numbers of selected descriptors of the regression (determined using Select_MLR)

Value

Exp.vs.Pred.tiff

Image representing experimental values vs predicted values for the both sets

Rext

return the value of the determination coefficient of the test set

Examples

# This function have to be run after choise of the model.

## "Test_set.csv" should be with the following form
## ID property SelectedDesc1 SelectedDesc2 ... 

#new_nom<-'Test_set.csv'
#newdata<-read.csv(new_nom,header=TRUE , sep=" ")
#mynewdata=newdata[,2:dim[2]]

#prediction(fit,mynewdata,dim(MLR)[2])