MCS-class

[[,MCS-method

coerce,list,MCS-method

mcs1,MCS-method

mcs1

mcs2,MCS-method

mcs2

stats,MCS-method

stats

show,MCS-method

List-like container for storing results from <code>fmcs</code> function.

classes

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.

Thomas Girke

fmcsR

Mismatch Tolerant Maximum Common Substructure Searching

MCS-class function

Objects can be created by calls of the form <code>new("MCS", ...)</code>.

Objects from the Class

Class <code>"MCS"</code>

MCS-class: Class `"MCS"`

Description

Arguments

Objects from the Class

References

See Also

Examples