It can easily create a MLR-QSAR model from a proper set of compounds.
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DESCRIPTION
NAMESPACE
README.md
ezqsar.Rproj

README.md

ezqsar

ezqsar_f {ezqsar}

Description

This function can easily create a MLR-QSAR model from a proper set of compounds.

Usage:

ezqsar_f(SDFfile, activityfile, propertyfield = "title", propertyfield_newset = "title", propertyfield_newset2 = "title", Nofdesc = 6, correlation = 1, partition = 0.8, des_sel_meth = "forward", testset = 0, newdataset = 0, newdataset2 = 0, activity = 0, Cutoff = 3)

Important note: It depends on four packages: caret, fingerprint, leaps and rcdk.

It can be installed by one of the following methods in R:

1-

install.packages("devtools")

devtools::install_github("shamsaraj/ezqsar")

2-

setwd("D:/")#set a working directory

download.file(url="https://github.com/shamsaraj/ezqsar", destfile="ezqsar-master.zip")

unzip("ezqsar-master.zip")

system("R CMD build ezqsar-master")

install.packages("ezqsar_0.8.0.tar.gz", repos = NULL)

3-

Download ezqsar-master.zip file from "clone or download" link in https://github.com/shamsaraj/ezqsar

setwd("D:/")#set the path to the download folder

unzip("ezqsar-master.zip")

system("R CMD build ezqsar-master")

install.packages("ezqsar_0.8.0.tar.gz", repos = NULL)