RxnSim (1.0.1)

Functions to Compute Chemical Reaction Similarity.

http://cran.r-project.org/web/packages/RxnSim

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.

Maintainer: Varun Giri
Author(s): Varun Giri [aut, cre]

License: GPL

Uses: Does not use any package

Released almost 5 years ago.