pubchemFPencoding {ChemmineR} | R Documentation |
Data frame with bit positions and substructure specifications.
data(pubchemFPencoding)
The format is a data frame with 881 rows and 2 columns.
From: ftp://ftp.ncbi.nih.gov/pubchem/specifications/pubchem_fingerprints.txt
See: ftp://ftp.ncbi.nih.gov/pubchem/specifications/pubchem_fingerprints.txt
data(pubchemFPencoding) pubchemFPencoding[1:4,]