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Package for predicting capacity of a molecule to induce ICD

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kroemerlab/ICDpred

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ICDpred

ICDpred is an R package for predicting capacity of a molecule to induce ICD

Requirements

The package can be installed on any distribution running the last version of R. Internet connection is required for installation and package use. To install the package, you need to have R and Java installed.

Packages dependencies

Some package dependencies must be fulfilled before installing the package. Open an R session and type:

install.packages(pkgs=c('devtools','Rcpp','RCurl','rcdk'), repos = "http://cloud.r-project.org")
source("http://bioconductor.org/biocLite.R");biocLite(pkgs='ChemmineR', ask=F)

Installation

In R console, type :

devtools::install_github("kroemerlab/ICDpred")

Usage

After installation, you have first to load the package by typing:

library(ICDpred)

The ICDscoring function can now be used using the PubChem ID of your molecule(s):

ICDscoring(CID=4212) #return mitoxantrone results

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Package for predicting capacity of a molecule to induce ICD

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