plotMCS

Selection of MCS solution by position number, default is 1.

<code>print=FALSE</code> turns of printing behavior of class.

print

Arguments to be passed to/from other methods.

Convenience plotting function to visualize and compare MCSs generated by <code>fmcs</code> function.

utilities

The fmcsR package introduces an efficient maximum common
        substructure (MCS) algorithms combined with a novel matching
        strategy that allows for atom and/or bond mismatches in the
        substructures shared among two small molecules. The resulting
        flexible MCSs (FMCSs) are often larger than strict MCSs,
        resulting in the identification of more common features in
        their source structures, as well as a higher sensitivity in
        finding compounds with weak structural similarities. The fmcsR
        package provides several utilities to use the FMCS algorithm
        for pairwise compound comparisons, structure similarity
        searching and clustering.

plotMCS: Plot MCS

Description

Usage

Arguments

Value

Details

References

See Also

Examples