CRAN/E | RxnSim

RxnSim

Functions to Compute Chemical Reaction Similarity

Installation

About

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.

Key Metrics

Version 1.0.3
R ≥ 2.5.0
Published 2017-07-25 2515 days ago
Needs compilation? no
License GPL-2
License GPL-3
CRAN checks RxnSim results

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Maintainer

Maintainer

Varun Giri

Authors

Varun Giri

aut / cre

Material

NEWS
ChangeLog
Reference manual
Package source

macOS

r-release

arm64

r-oldrel

arm64

r-release

x86_64

r-oldrel

x86_64

Windows

r-devel

x86_64

r-release

x86_64

r-oldrel

x86_64

Old Sources

RxnSim archive

Depends

R ≥ 2.5.0

Imports

rJava
fingerprint
data.table
rcdk ≥ 3.4.3