SDFset2SDF

SDFset2SDF<-

SDFset2SDF-methods


Returns object of class <code>SDFset</code> as <code>list</code> were each component consists of an <code>SDF</code> object.


 utilities

ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.

Thomas Girke

ChemmineR

Cheminformatics Toolkit for R

SDFset2SDF function

Returns object of class <code>SDFset</code> as <code>list</code> were each component consists of an <code>SDF</code> object.

<code>SDFset</code> to list with many <code>SDF</code>

containing one or many <code>SDF</code> objects

SDFset2SDF: `SDFset` to list with many `SDF`

Description

Usage

Arguments

Value

Details

References

See Also

Examples