preselection: Suppression of missing or constant descriptors

In DEMOVA: DEvelopment (of Multi-Linear QSPR/QSAR) MOdels VAlidated using Test Set

Description

Remove descriptors with missing values and a variance lower than 0.001.

Usage

preselection(desc)

Arguments

desc	Dataframe containing the names of desciptors and their values

Value

return a dataframe without the removed variables

Examples

## The input file should be with the following form
## id_molecule propriete x1 x2 x3 ... # Header line
## molecule1 1 0.02 500 ...
## molecule2 5 0.06 600 ...

# nom<-"NameOfInputFile.csv"
# data<-read.csv(nom,header = TRUE , sep=" ") 
# dim<-dim(data)
# mydesc<-data[,3:dim[2]]
# id<-data[,1]
# y<-data[,2] 

# d<-preselection(mydesc)

DEMOVA documentation built on May 2, 2019, 2:09 a.m.