girke-lab/eiR-release: Accelerated similarity searching of small molecules

The eiR package provides utilities for accelerated structure similarity searching of very large small molecule data sets using an embedding and indexing approach.

Getting started

Package details

AuthorKevin Horan, Yiqun Cao and Tyler Backman
Bioconductor views BiomedicalInformatics CellBasedAssays Cheminformatics Clustering DataImport Infrastructure MicrotitrePlateAssay Pharmacogenetics Pharmacogenomics Proteomics Visualization
MaintainerThomas Girke <[email protected]>
LicenseArtistic-2.0
Version1.10.0
URL https://github.com/girke-lab/ChemmineR
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("devtools")
library(devtools)
install_github("girke-lab/eiR-release")
girke-lab/eiR-release documentation built on May 14, 2017, 10:57 a.m.