apset: Atom pairs stored in 'APset' object

In girke-lab/ChemmineR-git-svn-bridge: Cheminformatics Toolkit for R

Description

Atom pairs for 100 molecules stored in sdfsample.

Usage

data(apset)

Format

Object of class apset

Details

Object stores atom pairs of 100 molecules.

Source

apset <- sdf2ap(sdfsample)

References

Chen X and Reynolds CH (2002). "Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients", J Chem Inf Comput Sci.

Examples

data(apset)
apset[1:4]
view(apset[1:4])

girke-lab/ChemmineR-git-svn-bridge documentation built on May 17, 2019, 5:25 a.m.