Package: RxnSim
Type: Package
Title: Functions to Compute Chemical Reaction Similarity
Version: 1.0
Date: 2015-03-12
Authors@R: person("Varun", "Giri", role=c("aut", "cre"), email="varungiri@gmail.com")
Maintainer: Varun Giri <varungiri@gmail.com>
Description: RxnSim provides methods to compute chemical similarity between two or more reactions and molecules. Molecular similarity is computed based on structural features. Reaction similarity is a function of similarities of participating molecules. The package additionally provides functionality to mask chemical substructures for weighted similarity computations. It uses rCDK and fingerprint packages for cheminformatics functionality. 
License: GPL
Depends: R (>= 2.5.0)
Imports: rJava, fingerprint, rcdk (>= 3.3.2)
Packaged: 2015-03-12 07:21:27 UTC; varungiri
Author: Varun Giri [aut, cre]
NeedsCompilation: no
Repository: CRAN
Date/Publication: 2015-03-12 09:37:28
