Package: RxnSim
Type: Package
Title: Functions to Compute Chemical Reaction Similarity
Version: 1.0.2
Date: 2017-06-20
Authors@R: person("Varun", "Giri", role=c("aut", "cre"), email="varungiri@gmail.com")
Maintainer: Varun Giri <varungiri@gmail.com>
Description: 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.
License: GPL
Depends: R (>= 2.5.0)
Imports: rJava, fingerprint, data.table, rcdk (>= 3.3.2)
Author: Varun Giri [aut, cre]
NeedsCompilation: no
Repository: CRAN
Packaged: 2017-06-20 06:22:28 UTC; varun
Date/Publication: 2017-06-20 15:57:11 UTC
