ChemmineR

Analysis of Small Molecule and Screening Data

Bioconductor version: Development (2.8)

ChemmineR is an R package for analyzing small molecule and screening data. The new version of the package 'ChemmineR-V2' contains efficient functions and data containers for processing SDFs (structure data files), structural similarity searching, clustering/diversity analyses of compound libraries with a wide spectrum of algorithms. In addition, it offers utilities for managing complex data sets from high-throughput compound bio-assays, and visualization functions for clustering results and chemical structures.

Author: Y. Eddie Cao, Tyler Backman, Yan Wang, Thomas Girke

Maintainer: ChemmineR Team

To install this package, start R and enter:

source("http:///biocLite.R")
biocLite("ChemmineR")    

Documentation

PDF

R Script

gpls Tutorial

Reference Manual

Details

biocViews	MicrotitrePlateAssay, CellBasedAssays, Visualization, Infrastructure, DataImport, Clustering, Bioinformatics, Proteomics
Depends	R, methods
Imports	graphics, methods, stats, RCurl
Suggests
System Requirements
License	Artistic-2.0
URL	http://manuals.bioinformatics.ucr.edu/home/chemminer
Depends On Me
Imports Me
Suggests Me
Version	2.3.18

Package Downloads

Package Source	ChemmineR_2.3.18.tar.gz
Windows Binary	ChemmineR_2.3.18.zip (32- & 64-bit)
MacOS 10.5 (Leopard) binary	ChemmineR_2.3.18.tgz
Package Downloads Report	Download Stats