sdfsample: SD file in 'SDFset' object

Description Usage Format Details Source References Examples

Description

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

Usage

1

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

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3
data(sdfsample)
sdfset <- sdfsample
view(sdfset[1:4])

ChemmineR documentation built on May 20, 2017, 10:02 p.m.

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