RxnSim (1.0.3)

0 users

Functions to Compute Chemical Reaction Similarity.


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: data.table, fingerprint, rcdk, rJava

Released over 2 years ago.

3 previous versions



  (0 votes)


  (0 votes)

Log in to vote.


No one has written a review of RxnSim yet. Want to be the first? Write one now.

Related packages:(20 best matches, based on common tags.)

Search for RxnSim on google, google scholar, r-help, r-devel.

Visit RxnSim on R Graphical Manual.