DOI: 10.18129/B9.bioc.eiR    

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

Accelerated similarity searching of small molecules

Bioconductor version: Development (3.17)

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")):


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HTML R Script eiR: Accelerated Similarity Searching of Small Molecules
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biocViews BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, Metabolomics, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization
Version 1.39.0
In Bioconductor since BioC 2.12 (R-3.0) (9.5 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)
Suggests BiocStyle, knitcitations, knitr, knitrBootstrap, rmarkdown
URL https://github.com/girke-lab/eiR
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Source Package eiR_1.39.0.tar.gz
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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/
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