ChemmineR (version 2.24.2)

apset: Atom pairs stored in APset object

Description

Atom pairs for 100 molecules stored in sdfsample.

Usage

data(apset)

Format

Object of class apset

Source

apset <- sdf2ap(sdfsample)

Details

Object stores atom pairs of 100 molecules.

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])