eiR

This is the development version of eiR; for the stable release version, see eiR.

All versions

3.24 (devel), 3.23 (release), 3.22, 3.21, 3.20, 3.19, 3.18, 3.17, 3.16, 3.15, 3.14, 3.13, 3.12, 3.11, 3.10, 3.9, 3.8, 3.7, 3.6, 3.5, 3.4, 3.3, 3.2, 3.1, 3.0, 2.14, 2.13, 2.12

Accelerated similarity searching of small molecules

Bioconductor version: Development (3.24)

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

Author: Kevin Horan, Yiqun Cao and Tyler Backman

Maintainer: Thomas Girke <thomas.girke at ucr.edu>

Citation (from within R, enter citation("eiR")):

Kevin Horan, Yiqun Cao and Tyler Backman. eiR: Accelerated similarity searching of small molecules. doi:10.18129/B9.bioc.eiR, R package version 1.53.0, https://bioconductor.org/packages/eiR.

Generated from the package metadata; it may differ from the package's own citation.

Installation

To install this package, start R (version "4.6") and enter:

if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

## The following initializes the development version of Bioconductor
BiocManager::install(version = "devel")

BiocManager::install("eiR")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("eiR")

eiR: Accelerated Similarity Searching of Small Molecules	HTML	R Script
Reference Manual	PDF
NEWS	Text
INSTALL	Text
LICENSE	Text

Need some help? Ask on the Bioconductor Support site!

Details

biocViews	BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, Metabolomics, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization
Version	1.53.0
In Bioconductor since	BioC 2.12 (R-3.0) (13.5 years)
License	Artistic-2.0
Depends	R (>= 2.10.0), ChemmineR (>= 2.15.15), methods, DBI
Imports	snow, tools, snowfall, RUnit, methods, ChemmineR, RCurl, digest, BiocGenerics, RcppAnnoy (>= 0.0.9)
System Requirements
URL	https://github.com/girke-lab/eiR

Suggests	BiocStyle, knitcitations, knitr, knitrBootstrap, rmarkdown, RSQLite, codetools
Linking To
Enhances
Depends On Me
Imports Me
Suggests Me
Links To Me
Build Report	Build Report, r-universe

Package Archives

Follow Installation instructions to use this package in your R session.

Source Package	eiR_1.53.0.tar.gz
Windows Binary (x86_64)
macOS Binary (big-sur-x86_64)	eiR_1.53.0.tgz
macOS Binary (sonoma-arm64)	eiR_1.53.0.tgz
Source Repository	git clone https://git.bioconductor.org/packages/eiR
Source Repository (Developer Access)	git clone git@git.bioconductor.org:packages/eiR
Package Short Url	https://bioconductor.org/packages/eiR/
Package Downloads Report	Download Stats