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 3.42.2 Index]