eiR

This is the released version of eiR; for the devel version, see eiR.

Accelerated similarity searching of small molecules

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DOI: 10.18129/B9.bioc.eiR

Bioconductor version: Release (3.22)

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")):

Installation

To install this package, start R (version "4.5") and enter:


if (!require("BiocManager", quietly = TRUE))
 install.packages("BiocManager")
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 1.50.0

In Bioconductor since BioC 2.12 (R-3.0) (12.5 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

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Package Archives

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

Source Package eiR_1.50.0.tar.gz

Windows Binary (x86_64)

macOS Binary (x86_64) eiR_1.50.0.tgz

macOS Binary (arm64) eiR_1.50.0.tgz

Source Repository git clone https://git.bioconductor.org/packages/eiR

Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/eiR

Bioc Package Browser https://code.bioconductor.org/browse/eiR/

Package Short Url https://bioconductor.org/packages/eiR/

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