Package: RxnSim
Type: Package
Title: Functions to Compute Chemical Reaction Similarity
Version: 1.0.3
Date: 2017-07-25
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 (>= 3.4.3)
Author: Varun Giri [aut, cre]
NeedsCompilation: no
Repository: CRAN
Packaged: 2017-07-25 18:26:57 UTC; varun
Date/Publication: 2017-07-25 21:03:33 UTC
Built: R 4.1.3; ; 2023-04-17 13:55:47 UTC; windows
