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.
|Author||Varun Giri [aut, cre]|
|Date of publication||2017-07-25 21:03:33 UTC|
|Maintainer||Varun Giri <[email protected]>|
|Package repository||View on CRAN|
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