sdfsample {ChemmineR}R Documentation

SD file in SDFset object

Description

First 100 compounds from PubChem SD file: Compound_00650001_00675000.sdf.gz

Usage

data(sdfsample)

Format

Object of class sdfset

Details

Object stores 100 molecules from a sample SD file.

Source

ftp://ftp.ncbi.nih.gov/pubchem/Compound/CURRENT-Full/SDF/Compound_00650001_00675000.sdf.gz

References

SDF format definition: http://www.symyx.com/downloads/public/ctfile/ctfile.jsp

Examples

data(sdfsample)
sdfset <- sdfsample
view(sdfset[1:4])

[Package ChemmineR version 3.44.0 Index]