Package: eiR 1.53.0

Thomas Girke

eiR: 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.

Authors:Kevin Horan, Yiqun Cao and Tyler Backman

eiR_1.53.0.tar.gz
eiR_1.53.0.zip(r-4.7)eiR_1.53.0.zip(r-4.6)eiR_1.53.0.zip(r-4.5)
eiR_1.53.0.tgz(r-4.6-x86_64)eiR_1.53.0.tgz(r-4.6-arm64)eiR_1.53.0.tgz(r-4.5-x86_64)eiR_1.53.0.tgz(r-4.5-arm64)
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eiR_1.53.0.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
eiR/json (API)

# Install 'eiR' in R:

install.packages('eiR', repos = c('https://bioc.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/girke-lab/eir/issues

Datasets:

example_compounds - Example Compounds

On BioConductor:eiR-1.53.0(bioc 3.24)eiR-1.52.0(bioc 3.23)

cheminformatics biomedicalinformatics pharmacogenetics pharmacogenomics microtitreplateassay cellbasedassays visualization infrastructure dataimport clustering proteomics metabolomics

5.56 score 4 stars 15 scripts 388 downloads 10 exports 63 dependencies

Last updated from:2685716236. Checks:6 ERROR, 6 NOTE, 2 OK. Indexed: yes.

Target	Result	Time
bioc-checks	ERROR	160
linux-devel-arm64	NOTE	220
linux-devel-x86_64	ERROR	267
source / vignettes	OK	230
linux-release-arm64	NOTE	235
linux-release-x86_64	ERROR	300
macos-release-arm64	NOTE	163
macos-release-x86_64	NOTE	451
macos-oldrel-arm64	NOTE	135
macos-oldrel-x86_64	NOTE	322
windows-devel	ERROR	198
windows-release	ERROR	125
windows-oldrel	ERROR	175
wasm-release	OK	167

Exports:addTransform eiAdd eiCluster eiInit eiMakeDb eiPerformanceTest eiQuery freeLSHData loadLSHData setDefaultDistance

Dependencies:base64enc BH BiocGenerics bitops bslib cachem ChemmineR cli cpp11 crosstalk DBI digest DT evaluate farver fastmap fontawesome fs generics ggplot2 glue gridExtra gtable highr htmltools htmlwidgets isoband jquerylib jsonlite knitr labeling later lazyeval lifecycle magrittr memoise mime otel png promises R6 rappdirs RColorBrewer Rcpp RcppAnnoy RCurl rjson rlang rmarkdown rsvg RUnit S7 sass scales snow snowfall stringi tinytex vctrs viridisLite withr xfun yaml

eiR: Accelerated Similarity Searching of Small Molecules

Rendered fromeiR.Rmdusingknitr::rmarkdown

Last update: 2021-01-25
Started: 2014-03-17

Citation

Development and contributors

Readme and manuals

Help Manual

Help page	Topics
Add Transform	addTransform
Add new compounds	eiAdd
Cluster compounds	eiCluster
Initialize a compound database	eiInit
Create an embedded database	eiMakeDb
Test the performance of LSH search	eiPerformanceTest
Perform a query on an embedded database	eiQuery
Example Compounds	example_compounds
Deprecated Free LSH Data	freeLSHData
Depreacated Load LSH Data	loadLSHData
Set the default distance function for a descriptor type	setDefaultDistance