RxnSim: Functions to Compute Chemical Reaction Similarity
Version 1.0.2

Methods to compute chemical similarity between two or more reactions and molecules. Allows masking of chemical substructures for weighted similarity computations. Uses packages 'rCDK' and 'fingerprint' for cheminformatics functionality.

Package details

AuthorVarun Giri [aut, cre]
Date of publication2017-06-20 15:57:11 UTC
MaintainerVarun Giri <varungiri@gmail.com>
LicenseGPL
Version1.0.2
Package repositoryView on CRAN
Installation Install the latest version of this package by entering the following in R:
install.packages("RxnSim")

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RxnSim documentation built on June 20, 2017, 5:02 p.m.