Package: eiR 1.47.0

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_1.47.0.tar.gz
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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-1.47.0(bioc 3.21)eiR-1.46.0(bioc 3.20)

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

5.33 score 3 stars 12 scripts 221 downloads 10 exports 73 dependencies

Last updated 26 days agofrom:e9e5231089. Checks:OK: 1 ERROR: 1 NOTE: 7. Indexed: yes.

Target	Result	Date
Doc / Vignettes	OK	Nov 18 2024
R-4.5-win-x86_64	NOTE	Oct 30 2024
R-4.5-linux-x86_64	ERROR	Oct 30 2024
R-4.4-win-x86_64	NOTE	Nov 19 2024
R-4.4-mac-x86_64	NOTE	Nov 18 2024
R-4.4-mac-aarch64	NOTE	Nov 18 2024
R-4.3-win-x86_64	NOTE	Nov 18 2024
R-4.3-mac-x86_64	NOTE	Nov 18 2024
R-4.3-mac-aarch64	NOTE	Nov 18 2024

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 generics 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 Nov 18 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