RxnSim: 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.

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AuthorVarun Giri [aut, cre]
Date of publication2015-04-08 12:07:02
MaintainerVarun Giri <varungiri@gmail.com>

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