Package: eiR 1.45.0

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

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eiR.pdf |eiR.html✨
eiR/json (API)
NEWS

# 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-1.45.0(bioc 3.20)eiR-1.44.0(bioc 3.19)

bioconductor-package

10 exports 0.91 score 72 dependencies

Last updated 2 months agofrom:09203f6c03

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

Dependencies:base64enc BH BiocGenerics bitops bslib cachem ChemmineR cli colorspace crosstalk DBI digest DT evaluate fansi farver fastmap fontawesome fs ggplot2 glue gridExtra gtable highr htmltools htmlwidgets httpuv isoband jquerylib jsonlite knitr labeling later lattice lazyeval lifecycle magrittr MASS Matrix memoise mgcv mime munsell nlme pillar pkgconfig png promises R6 rappdirs RColorBrewer Rcpp RcppAnnoy RCurl rjson rlang rmarkdown rsvg RUnit sass scales snow snowfall stringi tibble tinytex utf8 vctrs viridisLite withr xfun yaml

eiR: Accelerated Similarity Searching of Small Molecules

Authors: Kevin Horan, Yiqun Cao, Tyler Backman & Thomas Girke

Rendered fromeiR.Rmdusingknitr::rmarkdownon Jul 03 2024.

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