sdfsample: SD file in 'SDFset' object
In girke-lab/ChemmineR-git-svn-bridge: Cheminformatics Toolkit for R

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

1	data(sdfsample)

Object of class sdfset

Object stores 100 molecules from a sample SD file.

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

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

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

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

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