rs.clearCache

Clears fingerprint cache. <code>rs.clearCache</code> should be called before fingerprint
method (or related properties) are modified.

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. Methods for reaction similarity and sub-structure masking are as described in: Giri et al. (2015) <doi:10.1093/bioinformatics/btv416>.

Varun Giri

RxnSim

Functions to Compute Chemical and Chemical Reaction Similarity

rs.clearCache function

Varun Giri <a href="/link/varungiri%40gmail.com?package=RxnSim&version=1.0.4" data-mini-rdoc="RxnSim::varungiri@gmail.com">varungiri@gmail.com</a>

Author

Clears Fingerprint Cache — rs.clearCache

Varun Giri <a href='mailto:varungiri@gmail.com'>varungiri@gmail.com</a>

rs.clearCache: Clears Fingerprint Cache

Description

Usage

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Author

See Also