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.

Package details

AuthorKevin Horan, Yiqun Cao and Tyler Backman
Bioconductor views BiomedicalInformatics CellBasedAssays Cheminformatics Clustering DataImport Infrastructure Metabolomics MicrotitrePlateAssay Pharmacogenetics Pharmacogenomics Proteomics Visualization
MaintainerThomas Girke <thomas.girke@ucr.edu>
URL https://github.com/girke-lab/eiR
Package repositoryView on Bioconductor
Installation Install the latest version of this package by entering the following in R:
if (!requireNamespace("BiocManager", quietly = TRUE))


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eiR documentation built on Nov. 8, 2020, 6:17 p.m.