eiR
This is the development version of eiR; for the stable release version, see eiR.
Accelerated similarity searching of small molecules
DOI: 10.18129/B9.bioc.eiR
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("eiR")):
Huber W, Carey VJ, Gentleman R, Anders S, Carlson M, Carvalho BS, Bravo HC, Davis S, Gatto L, Girke T, Gottardo R, Hahne F, Hansen KD, Irizarry RA, Lawrence M, Love MI, MacDonald J, Obenchain V, Oleś AK, Pagès H, Reyes A, Shannon P, Smyth GK, Tenenbaum D, Waldron L, Morgan M (2015). "Orchestrating high-throughput genomic analysis with Bioconductor." Nature Methods, 12(2), 115–121. doi:10.1038/nmeth.3252.
Gentleman RC, Carey VJ, Bates DM, Bolstad B, Dettling M, Dudoit S, Ellis B, Gautier L, Ge Y, Gentry J, Hornik K, Hothorn T, Huber W, Iacus S, Irizarry R, Leisch F, Li C, Maechler M, Rossini AJ, Sawitzki G, Smith C, Smyth G, Tierney L, Yang JYH, Zhang J (2004). "Bioconductor: open software development for computational biology and bioinformatics." Genome Biology, 5(10), R80. doi:10.1186/gb-2004-5-10-r80.
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 | ||
| NEWS | Text | |
| INSTALL | Text | |
| LICENSE | Text |
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 |
See More
| 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 |
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 |
| Bioc Package Browser | https://code.bioconductor.org/browse/eiR/ |
| Package Short Url | https://bioconductor.org/packages/eiR/ |
| Package Downloads Report | Download Stats |