sdfsample {ChemmineR} | R Documentation |
SDFset
object
First 100 compounds from PubChem SD file: Compound_00650001_00675000.sdf.gz
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
data(sdfsample) sdfset <- sdfsample view(sdfset[1:4])